Eight new silver(I) trifluoroacetate complexes based on a series of designed ligands, each featuring an alicyclic ring with enediyne functionality, have been synthesized and characterized by single-crystal X-ray diffraction. Each ethynide terminal is inserted into an Agn (n = 4–5) basket, leading to the generation of coordination chain or layer structures, but the well shielded ethenyl group does not take part in silver-olefin bonding. Variation in ring size of the alicycles is shown to influence the construction of the organosilver(I) coordination networks, which are consolidated by weak intermolecular interactions in the crystal structures. The effect of adding ancillary N-donor ligands to the reaction system on the coordination and supramolecular network assembly is also investigated.
Supporting information
CCDC references: 952547; 952548; 952549; 952550; 952551; 952552; 952553; 952554
For all compounds, data collection: APEX2 (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2009); software used to prepare material for publication: SHELXL2013.
Crystal data top
22(Ag+)·3(C10H82−)·16(C2F3O2−)·12(C2H6SO) | Z = 4 |
Mr = 5503.48 | F(000) = 10488 |
Monoclinic, C2/c | Dx = 2.445 Mg m−3 |
a = 22.076 (3) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 14.7930 (18) Å | µ = 3.11 mm−1 |
c = 45.863 (6) Å | T = 173 K |
β = 93.501 (3)° | Block, yellow |
V = 14950 (3) Å3 | 0.50 × 0.50 × 0.40 mm |
Data collection top
Bruker APEX-II CCD diffractometer | 9700 reflections with I > 2σ(I) |
φ and ω scan | Rint = 0.158 |
Absorption correction: multi-scan SADABS (Bruker, 2003) | θmax = 25.3°, θmin = 1.7° |
Tmin = 0.306, Tmax = 0.370 | h = −26→26 |
102163 measured reflections | k = −17→17 |
13534 independent reflections | l = −55→54 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.076 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.200 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.096P)2 + 292.8881P] where P = (Fo2 + 2Fc2)/3 |
13534 reflections | (Δ/σ)max = 0.001 |
967 parameters | Δρmax = 3.61 e Å−3 |
606 restraints | Δρmin = −1.64 e Å−3 |
Crystal data top
22(Ag+)·3(C10H82−)·16(C2F3O2−)·12(C2H6SO) | V = 14950 (3) Å3 |
Mr = 5503.48 | Z = 4 |
Monoclinic, C2/c | Mo Kα radiation |
a = 22.076 (3) Å | µ = 3.11 mm−1 |
b = 14.7930 (18) Å | T = 173 K |
c = 45.863 (6) Å | 0.50 × 0.50 × 0.40 mm |
β = 93.501 (3)° | |
Data collection top
Bruker APEX-II CCD diffractometer | 13534 independent reflections |
Absorption correction: multi-scan SADABS (Bruker, 2003) | 9700 reflections with I > 2σ(I) |
Tmin = 0.306, Tmax = 0.370 | Rint = 0.158 |
102163 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.076 | 606 restraints |
wR(F2) = 0.200 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.096P)2 + 292.8881P] where P = (Fo2 + 2Fc2)/3 |
13534 reflections | Δρmax = 3.61 e Å−3 |
967 parameters | Δρmin = −1.64 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag1 | 0.79033 (4) | 0.31570 (6) | 0.49150 (2) | 0.0245 (2) | |
Ag2 | 0.78628 (5) | 0.17130 (7) | 0.44545 (3) | 0.0418 (3) | |
Ag3 | 0.76039 (5) | 0.36734 (6) | 0.43049 (2) | 0.0295 (2) | |
Ag4 | 0.66712 (5) | 0.38185 (6) | 0.48665 (2) | 0.0298 (2) | |
Ag5 | 0.55130 (5) | 0.38358 (6) | 0.34034 (2) | 0.0278 (2) | |
Ag6 | 0.59620 (6) | 0.43755 (7) | 0.40950 (2) | 0.0387 (3) | |
Ag7 | 0.67050 (5) | 0.44516 (6) | 0.35846 (2) | 0.0263 (2) | |
Ag8 | 0.66188 (5) | 0.26565 (6) | 0.33484 (2) | 0.0363 (3) | |
Ag9 | 0.54827 (5) | 0.27076 (6) | 0.28916 (2) | 0.0364 (3) | |
Ag10 | 0.63744 (5) | 0.42288 (6) | 0.29427 (2) | 0.0308 (3) | |
Ag11 | 0.43231 (6) | 0.38098 (9) | 0.29400 (3) | 0.0475 (3) | |
C1 | 0.7108 (5) | 0.2672 (7) | 0.4616 (2) | 0.018 (2) | |
C2 | 0.6746 (5) | 0.2425 (7) | 0.4419 (2) | 0.014 (2) | |
C3 | 0.6308 (5) | 0.2149 (8) | 0.4194 (3) | 0.022 (3) | |
C4 | 0.6242 (5) | 0.2795 (7) | 0.3950 (2) | 0.019 (2) | |
C5 | 0.6208 (6) | 0.3299 (8) | 0.3740 (2) | 0.023 (3) | |
C6 | 0.6003 (6) | 0.1366 (8) | 0.4188 (3) | 0.024 (3) | |
C7 | 0.6058 (7) | 0.0635 (8) | 0.4411 (3) | 0.037 (3) | |
H7A | 0.5831 | 0.0794 | 0.4584 | 0.045* | |
H7B | 0.6488 | 0.0531 | 0.4475 | 0.045* | |
C8 | 0.5788 (8) | −0.0195 (11) | 0.4260 (4) | 0.059 (5) | |
H8A | 0.6096 | −0.0519 | 0.4152 | 0.071* | |
H8B | 0.5619 | −0.0614 | 0.4403 | 0.071* | |
C9 | 0.5294 (8) | 0.0183 (11) | 0.4055 (4) | 0.053 (4) | |
H9A | 0.4921 | 0.0292 | 0.4158 | 0.064* | |
H9B | 0.5199 | −0.0241 | 0.3891 | 0.064* | |
C10 | 0.5544 (7) | 0.1069 (9) | 0.3942 (3) | 0.039 (3) | |
H10A | 0.5218 | 0.1523 | 0.3909 | 0.047* | |
H10B | 0.5746 | 0.0975 | 0.3757 | 0.047* | |
C11 | 0.5363 (6) | 0.4162 (9) | 0.2925 (3) | 0.033 (3) | |
C12 | 0.5173 (6) | 0.4728 (8) | 0.2753 (3) | 0.026 (3) | |
C13 | 0.5000 | 0.5259 (11) | 0.2500 | 0.024 (4) | |
C14 | 0.5000 | 0.6183 (11) | 0.2500 | 0.028 (4) | |
C15 | 0.5178 (7) | 0.6751 (9) | 0.2762 (3) | 0.040 (3) | |
H15A | 0.5600 | 0.6625 | 0.2837 | 0.048* | |
H15B | 0.4901 | 0.6654 | 0.2921 | 0.048* | |
C16 | 0.5115 (11) | 0.7697 (12) | 0.2637 (4) | 0.078 (6) | |
H16A | 0.4850 | 0.8058 | 0.2759 | 0.093* | |
H16B | 0.5519 | 0.7989 | 0.2645 | 0.093* | |
S1 | 0.7834 (3) | 0.1041 (3) | 0.37065 (10) | 0.0648 (13) | |
O17 | 0.7644 (6) | 0.1757 (8) | 0.3910 (3) | 0.070 (4) | |
C33 | 0.7396 (10) | 0.0091 (15) | 0.3777 (5) | 0.085 (7) | |
H33A | 0.6974 | 0.0198 | 0.3706 | 0.128* | |
H33B | 0.7413 | −0.0023 | 0.3988 | 0.128* | |
H33C | 0.7555 | −0.0436 | 0.3677 | 0.128* | |
C34 | 0.8542 (10) | 0.0650 (14) | 0.3854 (5) | 0.078 (6) | |
H34A | 0.8851 | 0.1115 | 0.3830 | 0.118* | |
H34B | 0.8655 | 0.0099 | 0.3751 | 0.118* | |
H34C | 0.8515 | 0.0516 | 0.4062 | 0.118* | |
S2 | 0.82363 (18) | 0.4145 (3) | 0.36429 (8) | 0.0441 (9) | |
O18 | 0.7685 (4) | 0.4105 (6) | 0.38215 (19) | 0.033 (2) | |
C35 | 0.8789 (9) | 0.3462 (12) | 0.3833 (5) | 0.071 (6) | |
H35A | 0.8677 | 0.2824 | 0.3809 | 0.106* | |
H35B | 0.8810 | 0.3620 | 0.4041 | 0.106* | |
H35C | 0.9186 | 0.3565 | 0.3754 | 0.106* | |
C36 | 0.8576 (9) | 0.5228 (12) | 0.3733 (4) | 0.068 (5) | |
H36A | 0.8326 | 0.5711 | 0.3642 | 0.102* | |
H36B | 0.8984 | 0.5253 | 0.3660 | 0.102* | |
H36C | 0.8603 | 0.5308 | 0.3945 | 0.102* | |
S3 | 0.70907 (17) | 0.5873 (2) | 0.44468 (8) | 0.0356 (8) | |
O19 | 0.6878 (4) | 0.4922 (6) | 0.4353 (2) | 0.043 (2) | |
C37 | 0.7223 (10) | 0.6420 (11) | 0.4116 (4) | 0.068 (5) | |
H37A | 0.7591 | 0.6175 | 0.4037 | 0.101* | |
H37B | 0.7274 | 0.7070 | 0.4151 | 0.101* | |
H37C | 0.6876 | 0.6320 | 0.3976 | 0.101* | |
C38 | 0.6416 (7) | 0.6438 (9) | 0.4534 (3) | 0.040 (4) | |
H38A | 0.6280 | 0.6203 | 0.4719 | 0.061* | |
H38B | 0.6100 | 0.6337 | 0.4379 | 0.061* | |
H38C | 0.6496 | 0.7088 | 0.4554 | 0.061* | |
S4 | 0.51124 (18) | 0.4043 (3) | 0.47009 (9) | 0.0425 (9) | |
O20 | 0.5716 (4) | 0.4224 (6) | 0.45803 (19) | 0.034 (2) | |
C39 | 0.4597 (8) | 0.4772 (13) | 0.4490 (4) | 0.070 (5) | |
H39A | 0.4671 | 0.5402 | 0.4547 | 0.105* | |
H39B | 0.4178 | 0.4609 | 0.4526 | 0.105* | |
H39C | 0.4661 | 0.4699 | 0.4281 | 0.105* | |
C40 | 0.4865 (8) | 0.2971 (10) | 0.4553 (4) | 0.060 (5) | |
H40A | 0.5108 | 0.2486 | 0.4647 | 0.090* | |
H40B | 0.4916 | 0.2962 | 0.4342 | 0.090* | |
H40C | 0.4436 | 0.2879 | 0.4588 | 0.090* | |
S5 | 0.3088 (2) | 0.5051 (3) | 0.27010 (8) | 0.0454 (10) | |
O21 | 0.3551 (5) | 0.4355 (7) | 0.2618 (2) | 0.046 (3) | |
C41 | 0.3514 (10) | 0.5748 (13) | 0.2961 (5) | 0.083 (6) | |
H41A | 0.3811 | 0.6105 | 0.2860 | 0.125* | |
H41B | 0.3725 | 0.5365 | 0.3108 | 0.125* | |
H41C | 0.3237 | 0.6156 | 0.3056 | 0.125* | |
C42 | 0.2631 (8) | 0.4540 (12) | 0.2951 (4) | 0.059 (5) | |
H42A | 0.2349 | 0.4120 | 0.2848 | 0.088* | |
H42B | 0.2400 | 0.5006 | 0.3049 | 0.088* | |
H42C | 0.2887 | 0.4209 | 0.3097 | 0.088* | |
S6 | 0.4067 (3) | 0.1429 (5) | 0.2665 (2) | 0.051 (3) | 0.80 (2) |
O22 | 0.4347 (5) | 0.2377 (6) | 0.2630 (2) | 0.040 (2) | 0.80 (2) |
C43 | 0.3977 (11) | 0.1294 (14) | 0.3043 (4) | 0.080 (6) | 0.80 (2) |
H43A | 0.4373 | 0.1174 | 0.3144 | 0.120* | 0.80 (2) |
H43B | 0.3703 | 0.0785 | 0.3073 | 0.120* | 0.80 (2) |
H43C | 0.3804 | 0.1848 | 0.3121 | 0.120* | 0.80 (2) |
C44 | 0.3282 (11) | 0.1635 (17) | 0.2543 (5) | 0.094 (7) | 0.80 (2) |
H44A | 0.3252 | 0.1719 | 0.2331 | 0.141* | 0.80 (2) |
H44B | 0.3136 | 0.2179 | 0.2638 | 0.141* | 0.80 (2) |
H44C | 0.3033 | 0.1116 | 0.2594 | 0.141* | 0.80 (2) |
S6' | 0.3876 (12) | 0.183 (2) | 0.2793 (5) | 0.043 (11) | 0.20 (2) |
O22' | 0.4347 (5) | 0.2377 (6) | 0.2630 (2) | 0.040 (2) | 0.20 (2) |
C43' | 0.3977 (11) | 0.1294 (14) | 0.3043 (4) | 0.080 (6) | 0.20 (2) |
H43D | 0.4336 | 0.1515 | 0.3158 | 0.120* | 0.20 (2) |
H43E | 0.4043 | 0.0666 | 0.2985 | 0.120* | 0.20 (2) |
H43F | 0.3622 | 0.1325 | 0.3161 | 0.120* | 0.20 (2) |
C44' | 0.3282 (11) | 0.1635 (17) | 0.2543 (5) | 0.094 (7) | 0.20 (2) |
H44D | 0.3289 | 0.2081 | 0.2385 | 0.141* | 0.20 (2) |
H44E | 0.2898 | 0.1685 | 0.2639 | 0.141* | 0.20 (2) |
H44F | 0.3318 | 0.1026 | 0.2462 | 0.141* | 0.20 (2) |
O1 | 0.8358 (5) | 0.4502 (6) | 0.4931 (2) | 0.041 (2) | |
O2 | 0.8421 (5) | 0.4603 (6) | 0.4445 (2) | 0.039 (2) | |
C17 | 0.8513 (7) | 0.4860 (9) | 0.4706 (3) | 0.032 (3) | |
C18 | 0.8906 (5) | 0.5717 (7) | 0.4748 (2) | 0.047 (4) | |
F1 | 0.8779 (7) | 0.6305 (7) | 0.4542 (2) | 0.131 (6) | |
F2 | 0.9470 (4) | 0.5522 (7) | 0.4736 (3) | 0.112 (5) | |
F3 | 0.8830 (5) | 0.6127 (7) | 0.4992 (2) | 0.095 (4) | |
O3 | 0.7305 (5) | 0.4797 (6) | 0.5506 (2) | 0.041 (2) | |
O4 | 0.6765 (5) | 0.5152 (5) | 0.5090 (2) | 0.036 (2) | |
C19 | 0.7088 (6) | 0.5299 (8) | 0.5318 (3) | 0.028 (3) | |
C20 | 0.7266 (5) | 0.6312 (8) | 0.5361 (2) | 0.043 (4) | |
F4 | 0.7642 (7) | 0.6451 (8) | 0.5580 (2) | 0.127 (6) | |
F5 | 0.6781 (5) | 0.6773 (8) | 0.5400 (3) | 0.141 (6) | |
F6 | 0.7498 (6) | 0.6657 (7) | 0.5133 (2) | 0.103 (4) | |
O5 | 0.6034 (5) | 0.2585 (7) | 0.5098 (2) | 0.049 (3) | |
O6 | 0.6144 (5) | 0.2934 (7) | 0.5579 (2) | 0.052 (3) | |
C21 | 0.5864 (7) | 0.2642 (8) | 0.5350 (3) | 0.034 (3) | |
C22 | 0.5244 (6) | 0.2205 (8) | 0.5387 (3) | 0.054 (4) | |
F7 | 0.4820 (7) | 0.2768 (11) | 0.5322 (4) | 0.179 (8) | |
F8 | 0.5152 (7) | 0.1517 (11) | 0.5212 (3) | 0.167 (8) | |
F9 | 0.5180 (6) | 0.1891 (10) | 0.5644 (2) | 0.120 (5) | |
O7 | 0.5077 (6) | 0.5260 (9) | 0.3533 (3) | 0.077 (4) | |
O8 | 0.5634 (6) | 0.5731 (8) | 0.3921 (3) | 0.065 (3) | |
C23 | 0.5306 (8) | 0.5817 (10) | 0.3701 (3) | 0.043 (4) | |
C24 | 0.5156 (5) | 0.6815 (9) | 0.3613 (2) | 0.065 (5) | |
F10 | 0.4639 (4) | 0.6895 (8) | 0.3468 (2) | 0.095 (4) | |
F11 | 0.5150 (7) | 0.7343 (8) | 0.3838 (2) | 0.127 (6) | |
F12 | 0.5571 (5) | 0.7110 (8) | 0.3450 (2) | 0.097 (4) | |
O9 | 0.4691 (6) | 0.3061 (9) | 0.3605 (3) | 0.070 (4) | |
O10 | 0.3852 (5) | 0.3534 (7) | 0.3355 (2) | 0.046 (3) | |
C25 | 0.4143 (7) | 0.3162 (9) | 0.3571 (3) | 0.038 (3) | |
C26 | 0.3771 (5) | 0.2873 (7) | 0.3825 (3) | 0.046 (4) | |
F13 | 0.3775 (7) | 0.3520 (7) | 0.4018 (3) | 0.127 (5) | |
F14 | 0.3994 (5) | 0.2170 (6) | 0.3958 (2) | 0.084 (4) | |
F15 | 0.3218 (5) | 0.2709 (10) | 0.3745 (3) | 0.132 (6) | |
O11 | 0.7035 (5) | 0.5743 (6) | 0.3443 (2) | 0.040 (2) | |
O12 | 0.6556 (5) | 0.5806 (6) | 0.2995 (2) | 0.043 (3) | |
C27 | 0.6845 (6) | 0.6136 (8) | 0.3205 (3) | 0.028 (3) | |
C28 | 0.7020 (5) | 0.7143 (8) | 0.3196 (2) | 0.041 (4) | |
F16 | 0.6700 (5) | 0.7583 (6) | 0.3000 (2) | 0.089 (4) | |
F17 | 0.6965 (5) | 0.7559 (5) | 0.34445 (17) | 0.068 (3) | |
F18 | 0.7586 (4) | 0.7211 (7) | 0.3138 (3) | 0.093 (4) | |
O13 | 0.7485 (5) | 0.2641 (7) | 0.3109 (3) | 0.053 (3) | |
O14 | 0.7372 (5) | 0.4017 (7) | 0.2922 (3) | 0.054 (3) | |
C29 | 0.7647 (7) | 0.3312 (9) | 0.2978 (3) | 0.040 (3) | |
C30 | 0.8298 (6) | 0.3294 (8) | 0.2869 (2) | 0.059 (5) | |
F19 | 0.8502 (6) | 0.4081 (7) | 0.2805 (3) | 0.139 (6) | |
F20 | 0.8288 (6) | 0.2806 (10) | 0.2635 (2) | 0.121 (5) | |
F21 | 0.8688 (4) | 0.2935 (7) | 0.3056 (2) | 0.069 (3) | |
O15 | 0.6403 (5) | 0.1136 (6) | 0.3253 (2) | 0.048 (3) | |
O16 | 0.5505 (5) | 0.1268 (6) | 0.3006 (2) | 0.050 (3) | |
C31 | 0.5912 (7) | 0.0866 (9) | 0.3143 (3) | 0.036 (3) | |
C32 | 0.5811 (5) | −0.0179 (7) | 0.3160 (2) | 0.042 (4) | |
F22 | 0.5981 (5) | −0.0565 (7) | 0.2924 (2) | 0.096 (4) | |
F23 | 0.5249 (4) | −0.0376 (6) | 0.3187 (3) | 0.087 (4) | |
F24 | 0.6119 (5) | −0.0553 (6) | 0.3377 (2) | 0.096 (4) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0249 (5) | 0.0271 (4) | 0.0210 (5) | −0.0101 (4) | −0.0024 (4) | 0.0049 (4) |
Ag2 | 0.0314 (6) | 0.0283 (5) | 0.0662 (8) | −0.0006 (4) | 0.0080 (6) | −0.0119 (5) |
Ag3 | 0.0333 (6) | 0.0311 (5) | 0.0237 (5) | −0.0052 (4) | −0.0013 (4) | 0.0109 (4) |
Ag4 | 0.0348 (6) | 0.0268 (5) | 0.0271 (5) | 0.0032 (4) | −0.0025 (4) | −0.0047 (4) |
Ag5 | 0.0298 (6) | 0.0360 (5) | 0.0167 (5) | −0.0012 (4) | −0.0073 (4) | 0.0064 (4) |
Ag6 | 0.0527 (8) | 0.0388 (6) | 0.0246 (6) | 0.0067 (5) | 0.0031 (5) | 0.0005 (4) |
Ag7 | 0.0317 (6) | 0.0252 (4) | 0.0213 (5) | −0.0052 (4) | −0.0037 (4) | 0.0061 (4) |
Ag8 | 0.0471 (7) | 0.0270 (5) | 0.0358 (6) | −0.0024 (5) | 0.0100 (5) | −0.0037 (4) |
Ag9 | 0.0454 (7) | 0.0256 (5) | 0.0365 (6) | 0.0002 (4) | −0.0110 (5) | −0.0009 (4) |
Ag10 | 0.0369 (6) | 0.0343 (5) | 0.0209 (5) | −0.0023 (4) | −0.0015 (4) | 0.0020 (4) |
Ag11 | 0.0414 (7) | 0.0674 (8) | 0.0335 (6) | 0.0065 (6) | 0.0010 (5) | 0.0164 (6) |
C1 | 0.015 (5) | 0.024 (5) | 0.014 (5) | −0.003 (4) | 0.002 (4) | 0.000 (4) |
C2 | 0.010 (5) | 0.017 (4) | 0.015 (5) | −0.003 (4) | 0.005 (4) | 0.008 (4) |
C3 | 0.016 (6) | 0.027 (5) | 0.021 (5) | 0.004 (4) | −0.002 (5) | 0.002 (4) |
C4 | 0.019 (6) | 0.023 (5) | 0.016 (5) | −0.007 (4) | −0.004 (4) | 0.003 (4) |
C5 | 0.029 (6) | 0.027 (5) | 0.013 (5) | 0.003 (5) | −0.005 (5) | −0.008 (4) |
C6 | 0.018 (6) | 0.034 (5) | 0.020 (5) | −0.005 (5) | 0.000 (5) | −0.003 (5) |
C7 | 0.039 (7) | 0.029 (6) | 0.043 (7) | −0.012 (5) | 0.002 (6) | 0.017 (5) |
C8 | 0.065 (8) | 0.053 (7) | 0.058 (8) | −0.018 (7) | −0.012 (7) | 0.018 (6) |
C9 | 0.045 (8) | 0.059 (7) | 0.055 (8) | −0.028 (6) | −0.007 (6) | 0.007 (6) |
C10 | 0.035 (7) | 0.042 (6) | 0.040 (7) | −0.005 (6) | −0.001 (6) | 0.002 (5) |
C11 | 0.034 (7) | 0.033 (6) | 0.030 (6) | −0.001 (5) | −0.002 (5) | 0.001 (5) |
C12 | 0.029 (6) | 0.026 (5) | 0.022 (6) | −0.003 (5) | 0.000 (5) | −0.004 (5) |
C13 | 0.029 (8) | 0.024 (6) | 0.020 (7) | 0.000 | 0.000 (6) | 0.000 |
C14 | 0.033 (8) | 0.027 (7) | 0.024 (7) | 0.000 | −0.001 (6) | 0.000 |
C15 | 0.045 (7) | 0.033 (6) | 0.041 (7) | 0.000 (5) | −0.001 (6) | −0.017 (5) |
C16 | 0.091 (10) | 0.059 (8) | 0.083 (9) | 0.000 (8) | 0.003 (8) | −0.011 (7) |
S1 | 0.077 (4) | 0.071 (3) | 0.048 (3) | 0.026 (3) | 0.014 (2) | 0.017 (2) |
O17 | 0.069 (7) | 0.067 (6) | 0.074 (7) | 0.015 (6) | 0.015 (6) | 0.013 (6) |
C33 | 0.084 (13) | 0.087 (12) | 0.081 (13) | −0.003 (11) | −0.022 (11) | −0.008 (10) |
C34 | 0.076 (13) | 0.076 (11) | 0.085 (13) | 0.022 (10) | 0.020 (11) | −0.007 (10) |
S2 | 0.035 (2) | 0.073 (3) | 0.0245 (19) | −0.0011 (19) | 0.0019 (16) | 0.0006 (17) |
O18 | 0.029 (5) | 0.041 (4) | 0.030 (5) | −0.006 (4) | −0.001 (4) | 0.005 (4) |
C35 | 0.050 (10) | 0.063 (10) | 0.101 (13) | 0.021 (8) | 0.017 (10) | 0.021 (9) |
C36 | 0.059 (11) | 0.070 (10) | 0.077 (12) | −0.009 (9) | 0.018 (9) | 0.019 (9) |
S3 | 0.035 (2) | 0.0343 (17) | 0.038 (2) | −0.0040 (15) | 0.0066 (17) | −0.0047 (15) |
O19 | 0.033 (5) | 0.031 (4) | 0.065 (6) | −0.004 (4) | 0.003 (5) | −0.001 (4) |
C37 | 0.104 (13) | 0.054 (9) | 0.048 (9) | −0.041 (9) | 0.027 (9) | −0.003 (7) |
C38 | 0.037 (8) | 0.042 (7) | 0.042 (8) | 0.009 (6) | 0.001 (7) | −0.004 (6) |
S4 | 0.035 (2) | 0.048 (2) | 0.046 (2) | −0.0058 (17) | 0.0084 (18) | −0.0016 (17) |
O20 | 0.026 (5) | 0.048 (5) | 0.028 (5) | −0.004 (4) | 0.002 (4) | 0.006 (4) |
C39 | 0.043 (10) | 0.081 (11) | 0.088 (12) | 0.013 (9) | 0.015 (9) | 0.025 (10) |
C40 | 0.058 (10) | 0.043 (8) | 0.075 (11) | −0.023 (7) | −0.029 (9) | 0.002 (8) |
S5 | 0.056 (3) | 0.046 (2) | 0.035 (2) | 0.0217 (19) | 0.0122 (19) | 0.0084 (16) |
O21 | 0.048 (6) | 0.061 (5) | 0.029 (5) | 0.021 (5) | 0.005 (4) | 0.000 (4) |
C41 | 0.074 (12) | 0.064 (10) | 0.113 (14) | −0.018 (9) | 0.021 (11) | −0.027 (10) |
C42 | 0.060 (11) | 0.060 (9) | 0.056 (10) | −0.005 (8) | 0.001 (9) | 0.008 (8) |
S6 | 0.068 (4) | 0.044 (3) | 0.043 (5) | −0.013 (3) | 0.008 (3) | −0.002 (3) |
O22 | 0.041 (5) | 0.039 (4) | 0.039 (5) | −0.003 (4) | −0.002 (4) | 0.001 (4) |
C43 | 0.091 (12) | 0.080 (10) | 0.070 (10) | −0.015 (9) | 0.004 (9) | 0.014 (9) |
C44 | 0.088 (12) | 0.118 (13) | 0.074 (11) | −0.021 (10) | −0.007 (10) | 0.000 (10) |
S6' | 0.047 (16) | 0.071 (19) | 0.010 (11) | −0.027 (13) | 0.001 (9) | −0.007 (11) |
O22' | 0.041 (5) | 0.039 (4) | 0.039 (5) | −0.003 (4) | −0.002 (4) | 0.001 (4) |
C43' | 0.091 (12) | 0.080 (10) | 0.070 (10) | −0.015 (9) | 0.004 (9) | 0.014 (9) |
C44' | 0.088 (12) | 0.118 (13) | 0.074 (11) | −0.021 (10) | −0.007 (10) | 0.000 (10) |
O1 | 0.054 (6) | 0.043 (5) | 0.025 (5) | −0.026 (4) | −0.006 (4) | 0.010 (4) |
O2 | 0.039 (5) | 0.045 (5) | 0.032 (5) | −0.021 (4) | 0.007 (4) | 0.004 (4) |
C17 | 0.042 (7) | 0.036 (6) | 0.019 (6) | −0.007 (5) | 0.003 (5) | 0.000 (5) |
C18 | 0.050 (8) | 0.043 (6) | 0.047 (7) | −0.015 (6) | 0.004 (6) | −0.001 (6) |
F1 | 0.201 (14) | 0.070 (7) | 0.115 (10) | −0.071 (8) | −0.036 (10) | 0.046 (7) |
F2 | 0.056 (7) | 0.087 (8) | 0.195 (13) | −0.035 (6) | 0.016 (8) | −0.043 (8) |
F3 | 0.112 (9) | 0.080 (7) | 0.097 (8) | −0.072 (7) | 0.035 (7) | −0.049 (6) |
O3 | 0.056 (6) | 0.029 (4) | 0.037 (5) | −0.012 (4) | −0.003 (5) | 0.005 (4) |
O4 | 0.051 (6) | 0.019 (4) | 0.036 (5) | 0.002 (4) | −0.011 (4) | −0.005 (3) |
C19 | 0.033 (6) | 0.024 (5) | 0.027 (6) | −0.003 (5) | 0.011 (5) | −0.002 (5) |
C20 | 0.057 (8) | 0.034 (6) | 0.039 (7) | −0.006 (6) | 0.006 (6) | −0.003 (6) |
F4 | 0.194 (13) | 0.062 (7) | 0.118 (10) | −0.057 (8) | −0.054 (10) | 0.005 (7) |
F5 | 0.144 (12) | 0.054 (7) | 0.233 (15) | 0.009 (7) | 0.072 (11) | −0.036 (8) |
F6 | 0.160 (12) | 0.059 (6) | 0.092 (8) | −0.050 (7) | 0.029 (8) | −0.002 (6) |
O5 | 0.039 (6) | 0.066 (6) | 0.042 (5) | −0.018 (5) | 0.000 (5) | 0.010 (5) |
O6 | 0.040 (6) | 0.061 (6) | 0.056 (6) | −0.011 (5) | 0.011 (5) | −0.009 (5) |
C21 | 0.034 (7) | 0.030 (6) | 0.038 (7) | −0.008 (5) | 0.013 (6) | 0.001 (5) |
C22 | 0.046 (8) | 0.061 (8) | 0.056 (8) | −0.015 (7) | 0.008 (7) | −0.003 (7) |
F7 | 0.074 (9) | 0.184 (14) | 0.284 (17) | 0.021 (10) | 0.040 (11) | 0.109 (13) |
F8 | 0.125 (12) | 0.205 (14) | 0.172 (14) | −0.104 (11) | 0.020 (10) | −0.056 (12) |
F9 | 0.094 (9) | 0.183 (12) | 0.084 (8) | −0.081 (9) | 0.015 (7) | 0.028 (8) |
O7 | 0.075 (7) | 0.069 (6) | 0.084 (7) | 0.020 (6) | −0.015 (6) | −0.023 (6) |
O8 | 0.088 (7) | 0.056 (6) | 0.046 (6) | 0.010 (5) | −0.021 (6) | 0.002 (5) |
C23 | 0.055 (8) | 0.043 (6) | 0.033 (7) | 0.013 (6) | 0.009 (6) | −0.007 (6) |
C24 | 0.070 (9) | 0.073 (8) | 0.051 (8) | 0.022 (7) | −0.001 (7) | −0.003 (7) |
F10 | 0.079 (8) | 0.121 (9) | 0.084 (8) | 0.053 (7) | 0.005 (7) | 0.030 (7) |
F11 | 0.216 (14) | 0.088 (8) | 0.074 (8) | 0.080 (9) | −0.016 (9) | −0.027 (6) |
F12 | 0.095 (9) | 0.082 (8) | 0.110 (9) | −0.006 (7) | −0.014 (8) | 0.015 (7) |
O9 | 0.054 (7) | 0.078 (7) | 0.079 (7) | −0.006 (6) | 0.007 (6) | 0.044 (6) |
O10 | 0.043 (6) | 0.065 (6) | 0.030 (5) | 0.000 (5) | −0.002 (4) | 0.015 (4) |
C25 | 0.030 (7) | 0.041 (6) | 0.042 (7) | −0.003 (5) | −0.008 (6) | 0.007 (5) |
C26 | 0.041 (7) | 0.046 (7) | 0.051 (7) | −0.014 (6) | −0.010 (6) | 0.008 (6) |
F13 | 0.185 (14) | 0.120 (10) | 0.084 (9) | −0.001 (10) | 0.059 (9) | 0.006 (8) |
F14 | 0.097 (9) | 0.083 (7) | 0.074 (7) | −0.021 (6) | 0.013 (6) | 0.037 (6) |
F15 | 0.075 (9) | 0.230 (14) | 0.088 (9) | −0.062 (9) | −0.007 (7) | 0.072 (9) |
O11 | 0.048 (6) | 0.039 (4) | 0.031 (5) | −0.011 (4) | −0.012 (4) | 0.014 (4) |
O12 | 0.057 (6) | 0.032 (4) | 0.039 (5) | −0.004 (4) | −0.011 (5) | 0.001 (4) |
C27 | 0.031 (6) | 0.025 (5) | 0.029 (6) | −0.006 (5) | 0.003 (5) | −0.004 (5) |
C28 | 0.043 (7) | 0.045 (6) | 0.035 (7) | −0.003 (6) | 0.004 (6) | 0.011 (6) |
F16 | 0.133 (10) | 0.048 (5) | 0.079 (7) | −0.024 (6) | −0.056 (7) | 0.036 (5) |
F17 | 0.103 (8) | 0.033 (4) | 0.067 (6) | −0.008 (5) | −0.001 (6) | −0.010 (4) |
F18 | 0.074 (8) | 0.075 (7) | 0.133 (10) | −0.028 (6) | 0.045 (7) | −0.004 (7) |
O13 | 0.054 (6) | 0.046 (5) | 0.061 (6) | 0.008 (5) | 0.017 (5) | 0.003 (5) |
O14 | 0.048 (6) | 0.047 (5) | 0.069 (6) | 0.006 (5) | 0.006 (5) | 0.012 (5) |
C29 | 0.044 (7) | 0.039 (6) | 0.037 (7) | 0.007 (6) | −0.008 (6) | 0.005 (5) |
C30 | 0.066 (9) | 0.060 (8) | 0.051 (8) | 0.004 (7) | 0.011 (7) | 0.010 (7) |
F19 | 0.078 (9) | 0.124 (10) | 0.222 (15) | 0.001 (8) | 0.060 (10) | 0.066 (10) |
F20 | 0.087 (9) | 0.220 (14) | 0.059 (7) | 0.026 (9) | 0.027 (7) | −0.029 (9) |
F21 | 0.038 (6) | 0.092 (7) | 0.076 (7) | 0.010 (5) | 0.001 (5) | −0.018 (6) |
O15 | 0.055 (6) | 0.031 (4) | 0.058 (6) | −0.002 (4) | −0.009 (5) | −0.005 (4) |
O16 | 0.058 (6) | 0.038 (5) | 0.053 (6) | 0.001 (5) | −0.009 (5) | 0.004 (4) |
C31 | 0.040 (7) | 0.025 (5) | 0.043 (7) | −0.002 (5) | −0.005 (6) | 0.002 (5) |
C32 | 0.039 (7) | 0.032 (6) | 0.055 (8) | 0.003 (6) | −0.010 (6) | 0.000 (6) |
F22 | 0.143 (11) | 0.043 (5) | 0.102 (9) | 0.001 (6) | 0.005 (8) | −0.035 (6) |
F23 | 0.072 (8) | 0.048 (5) | 0.140 (10) | −0.016 (5) | 0.004 (7) | 0.025 (6) |
F24 | 0.124 (10) | 0.039 (5) | 0.116 (9) | −0.014 (6) | −0.063 (8) | 0.025 (5) |
Geometric parameters (Å, º) top
Ag1—O1 | 2.228 (9) | C33—H33C | 0.9800 |
Ag1—C1 | 2.277 (11) | C34—H34A | 0.9800 |
Ag1—C1i | 2.478 (11) | C34—H34B | 0.9800 |
Ag1—O5i | 2.594 (11) | C34—H34C | 0.9800 |
Ag1—Ag1i | 2.7796 (18) | S2—O18 | 1.509 (10) |
Ag1—Ag4 | 2.8863 (15) | S2—C35 | 1.772 (17) |
Ag1—Ag3 | 2.9366 (13) | S2—C36 | 1.806 (19) |
Ag1—Ag2 | 3.0012 (14) | C35—H35A | 0.9800 |
Ag1—Ag4i | 3.2113 (13) | C35—H35B | 0.9800 |
Ag2—O6i | 2.268 (11) | C35—H35C | 0.9800 |
Ag2—O3i | 2.272 (9) | C36—H36A | 0.9800 |
Ag2—C1 | 2.343 (11) | C36—H36B | 0.9800 |
Ag2—O17 | 2.514 (13) | C36—H36C | 0.9800 |
Ag2—C2 | 2.678 (11) | S3—O19 | 1.536 (9) |
Ag2—Ag3 | 3.0265 (14) | S3—C37 | 1.760 (16) |
Ag2—Ag4i | 3.3140 (17) | S3—C38 | 1.775 (14) |
Ag3—O18 | 2.324 (9) | C37—H37A | 0.9800 |
Ag3—O2 | 2.327 (9) | C37—H37B | 0.9800 |
Ag3—C1 | 2.371 (11) | C37—H37C | 0.9800 |
Ag3—O19 | 2.465 (10) | C38—H38A | 0.9800 |
Ag4—O4 | 2.227 (8) | C38—H38B | 0.9800 |
Ag4—C1 | 2.294 (11) | C38—H38C | 0.9800 |
Ag4—O20 | 2.489 (9) | S4—O20 | 1.497 (10) |
Ag4—O5 | 2.572 (10) | S4—C40 | 1.798 (15) |
Ag4—Ag1i | 3.2113 (13) | S4—C39 | 1.806 (18) |
Ag4—Ag2i | 3.3141 (16) | C39—H39A | 0.9800 |
Ag5—C11 | 2.253 (13) | C39—H39B | 0.9800 |
Ag5—C5 | 2.253 (12) | C39—H39C | 0.9800 |
Ag5—O9 | 2.381 (12) | C40—H40A | 0.9800 |
Ag5—O7 | 2.407 (12) | C40—H40B | 0.9800 |
Ag5—Ag7 | 2.8597 (14) | C40—H40C | 0.9800 |
Ag5—Ag9 | 2.8776 (14) | S5—O21 | 1.516 (10) |
Ag5—Ag10 | 2.9849 (15) | S5—C42 | 1.745 (18) |
Ag5—Ag8 | 3.0235 (15) | S5—C41 | 1.80 (2) |
Ag5—Ag11 | 3.2766 (15) | O21—Ag10ii | 2.595 (10) |
Ag5—Ag6 | 3.3611 (14) | C41—H41A | 0.9800 |
Ag6—O8 | 2.260 (11) | C41—H41B | 0.9800 |
Ag6—O20 | 2.334 (9) | C41—H41C | 0.9800 |
Ag6—C5 | 2.363 (11) | C42—H42A | 0.9800 |
Ag6—O19 | 2.419 (10) | C42—H42B | 0.9800 |
Ag6—C4 | 2.518 (11) | C42—H42C | 0.9800 |
Ag6—Ag7 | 2.9412 (15) | S6—O22 | 1.546 (11) |
Ag7—O11 | 2.158 (9) | S6—C43 | 1.77 (2) |
Ag7—C5 | 2.172 (12) | S6—C44 | 1.82 (2) |
Ag7—O18 | 2.416 (9) | O22—Ag9ii | 2.492 (10) |
Ag7—Ag8 | 2.8699 (13) | C43—H43A | 0.9800 |
Ag7—Ag10 | 3.0080 (14) | C43—H43B | 0.9800 |
Ag8—O13 | 2.263 (11) | C43—H43C | 0.9800 |
Ag8—C5 | 2.271 (12) | C44—H44A | 0.9800 |
Ag8—O15 | 2.335 (9) | C44—H44B | 0.9800 |
Ag8—Ag10 | 3.0069 (14) | C44—H44C | 0.9800 |
Ag8—Ag9 | 3.1693 (16) | O1—C17 | 1.230 (15) |
Ag9—C11 | 2.175 (13) | O2—C17 | 1.257 (15) |
Ag9—O16 | 2.193 (10) | C17—C18 | 1.541 (17) |
Ag9—O22'ii | 2.492 (10) | C18—F2 | 1.283 (9) |
Ag9—O22ii | 2.492 (10) | C18—F3 | 1.291 (9) |
Ag9—Ag10 | 2.9894 (15) | C18—F1 | 1.301 (9) |
Ag9—Ag11 | 3.0545 (17) | O3—C19 | 1.216 (15) |
Ag10—O14 | 2.232 (11) | O3—Ag2i | 2.272 (9) |
Ag10—C11 | 2.231 (14) | O4—C19 | 1.246 (15) |
Ag10—O12 | 2.377 (9) | C19—C20 | 1.559 (16) |
Ag10—O21ii | 2.595 (10) | C20—F4 | 1.281 (9) |
Ag11—O10 | 2.263 (10) | C20—F5 | 1.291 (9) |
Ag11—O21 | 2.330 (10) | C20—F6 | 1.298 (9) |
Ag11—C11 | 2.359 (14) | O5—C21 | 1.240 (17) |
Ag11—C12 | 2.510 (13) | O5—Ag1i | 2.594 (11) |
Ag11—O22 | 2.555 (9) | O6—C21 | 1.263 (17) |
C1—C2 | 1.226 (15) | O6—Ag2i | 2.268 (11) |
C1—Ag1i | 2.478 (11) | C21—C22 | 1.532 (19) |
C2—C3 | 1.428 (16) | C22—F7 | 1.273 (9) |
C3—C6 | 1.341 (16) | C22—F9 | 1.282 (9) |
C3—C4 | 1.472 (15) | C22—F8 | 1.303 (9) |
C4—C5 | 1.216 (16) | O7—C23 | 1.217 (19) |
C6—C7 | 1.489 (17) | O8—C23 | 1.212 (18) |
C6—C10 | 1.534 (17) | C23—C24 | 1.56 (2) |
C7—C8 | 1.51 (2) | C24—F10 | 1.291 (9) |
C7—H7A | 0.9900 | C24—F11 | 1.293 (9) |
C7—H7B | 0.9900 | C24—F12 | 1.295 (10) |
C8—C9 | 1.50 (2) | O9—C25 | 1.218 (18) |
C8—H8A | 0.9900 | O10—C25 | 1.270 (16) |
C8—H8B | 0.9900 | C25—C26 | 1.53 (2) |
C9—C10 | 1.53 (2) | C26—F15 | 1.276 (9) |
C9—H9A | 0.9900 | C26—F14 | 1.290 (9) |
C9—H9B | 0.9900 | C26—F13 | 1.304 (9) |
C10—H10A | 0.9900 | O11—C27 | 1.288 (15) |
C10—H10B | 0.9900 | O12—C27 | 1.223 (15) |
C11—C12 | 1.208 (17) | C27—C28 | 1.540 (16) |
C12—C13 | 1.432 (15) | C28—F16 | 1.287 (9) |
C13—C14 | 1.37 (2) | C28—F18 | 1.297 (9) |
C13—C12ii | 1.432 (15) | C28—F17 | 1.306 (9) |
C14—C15ii | 1.500 (15) | O13—C29 | 1.226 (17) |
C14—C15 | 1.500 (15) | O14—C29 | 1.226 (17) |
C15—C16 | 1.52 (2) | C29—C30 | 1.55 (2) |
C15—H15A | 0.9900 | C30—F19 | 1.289 (9) |
C15—H15B | 0.9900 | C30—F21 | 1.292 (9) |
C16—C16ii | 1.33 (4) | C30—F20 | 1.293 (9) |
C16—H16A | 0.9900 | O15—C31 | 1.234 (17) |
C16—H16B | 0.9900 | O16—C31 | 1.219 (17) |
S1—O17 | 1.490 (14) | C31—C32 | 1.564 (16) |
S1—C33 | 1.75 (2) | C32—F23 | 1.288 (9) |
S1—C34 | 1.76 (2) | C32—F24 | 1.292 (9) |
C33—H33A | 0.9800 | C32—F22 | 1.300 (9) |
C33—H33B | 0.9800 | | |
| | | |
O1—Ag1—C1 | 129.1 (4) | Ag1—C1—Ag4 | 78.3 (3) |
O1—Ag1—C1i | 116.2 (3) | C2—C1—Ag2 | 91.8 (8) |
C1—Ag1—C1i | 108.6 (3) | Ag1—C1—Ag2 | 81.0 (4) |
O1—Ag1—O5i | 88.4 (4) | Ag4—C1—Ag2 | 159.2 (5) |
C1—Ag1—O5i | 121.3 (4) | C2—C1—Ag3 | 92.7 (7) |
C1i—Ag1—O5i | 82.3 (4) | Ag1—C1—Ag3 | 78.4 (3) |
O1—Ag1—Ag1i | 155.5 (3) | Ag4—C1—Ag3 | 93.6 (4) |
C1—Ag1—Ag1i | 57.7 (3) | Ag2—C1—Ag3 | 79.9 (4) |
C1i—Ag1—Ag1i | 50.9 (3) | C2—C1—Ag1i | 116.9 (8) |
O5i—Ag1—Ag1i | 107.8 (2) | Ag1—C1—Ag1i | 71.4 (3) |
O1—Ag1—Ag4 | 96.9 (3) | Ag4—C1—Ag1i | 84.5 (4) |
C1—Ag1—Ag4 | 51.1 (3) | Ag2—C1—Ag1i | 91.1 (4) |
C1i—Ag1—Ag4 | 100.1 (3) | Ag3—C1—Ag1i | 149.5 (5) |
O5i—Ag1—Ag4 | 172.3 (2) | C1—C2—C3 | 178.2 (12) |
Ag1i—Ag1—Ag4 | 69.02 (4) | C1—C2—Ag2 | 61.0 (7) |
O1—Ag1—Ag3 | 82.8 (2) | C3—C2—Ag2 | 120.8 (8) |
C1—Ag1—Ag3 | 52.2 (3) | C6—C3—C2 | 125.4 (10) |
C1i—Ag1—Ag3 | 160.5 (3) | C6—C3—C4 | 121.2 (10) |
O5i—Ag1—Ag3 | 103.9 (2) | C2—C3—C4 | 113.3 (10) |
Ag1i—Ag1—Ag3 | 109.79 (5) | C5—C4—C3 | 176.5 (13) |
Ag4—Ag1—Ag3 | 71.47 (4) | C5—C4—Ag6 | 68.6 (7) |
O1—Ag1—Ag2 | 130.8 (3) | C3—C4—Ag6 | 114.6 (8) |
C1—Ag1—Ag2 | 50.5 (3) | C4—C5—Ag7 | 137.2 (10) |
C1i—Ag1—Ag2 | 104.9 (3) | C4—C5—Ag5 | 139.9 (10) |
O5i—Ag1—Ag2 | 70.8 (2) | Ag7—C5—Ag5 | 80.5 (4) |
Ag1i—Ag1—Ag2 | 73.00 (4) | C4—C5—Ag8 | 111.1 (9) |
Ag4—Ag1—Ag2 | 101.52 (4) | Ag7—C5—Ag8 | 80.5 (4) |
Ag3—Ag1—Ag2 | 61.28 (4) | Ag5—C5—Ag8 | 83.9 (4) |
O1—Ag1—Ag4i | 132.8 (3) | C4—C5—Ag6 | 82.8 (8) |
C1—Ag1—Ag4i | 95.8 (3) | Ag7—C5—Ag6 | 80.8 (4) |
C1i—Ag1—Ag4i | 45.3 (3) | Ag5—C5—Ag6 | 93.4 (4) |
O5i—Ag1—Ag4i | 51.3 (2) | Ag8—C5—Ag6 | 161.2 (6) |
Ag1i—Ag1—Ag4i | 57.06 (4) | C3—C6—C7 | 126.4 (11) |
Ag4—Ag1—Ag4i | 126.08 (3) | C3—C6—C10 | 124.8 (11) |
Ag3—Ag1—Ag4i | 125.35 (4) | C7—C6—C10 | 108.7 (11) |
Ag2—Ag1—Ag4i | 64.37 (3) | C6—C7—C8 | 105.2 (12) |
O6i—Ag2—O3i | 113.2 (4) | C6—C7—H7A | 110.7 |
O6i—Ag2—C1 | 126.2 (4) | C8—C7—H7A | 110.7 |
O3i—Ag2—C1 | 116.6 (4) | C6—C7—H7B | 110.7 |
O6i—Ag2—O17 | 93.1 (4) | C8—C7—H7B | 110.7 |
O3i—Ag2—O17 | 94.7 (4) | H7A—C7—H7B | 108.8 |
C1—Ag2—O17 | 101.6 (4) | C9—C8—C7 | 103.5 (13) |
O6i—Ag2—C2 | 142.7 (4) | C9—C8—H8A | 111.1 |
O3i—Ag2—C2 | 103.7 (3) | C7—C8—H8A | 111.1 |
C1—Ag2—C2 | 27.2 (4) | C9—C8—H8B | 111.1 |
O17—Ag2—C2 | 79.0 (4) | C7—C8—H8B | 111.1 |
O6i—Ag2—Ag1 | 84.0 (3) | H8A—C8—H8B | 109.0 |
O3i—Ag2—Ag1 | 129.9 (3) | C8—C9—C10 | 105.6 (12) |
C1—Ag2—Ag1 | 48.5 (3) | C8—C9—H9A | 110.6 |
O17—Ag2—Ag1 | 132.5 (3) | C10—C9—H9A | 110.6 |
C2—Ag2—Ag1 | 75.6 (2) | C8—C9—H9B | 110.6 |
O6i—Ag2—Ag3 | 86.2 (3) | C10—C9—H9B | 110.6 |
O3i—Ag2—Ag3 | 158.5 (3) | H9A—C9—H9B | 108.7 |
C1—Ag2—Ag3 | 50.5 (3) | C9—C10—C6 | 103.4 (11) |
O17—Ag2—Ag3 | 74.2 (3) | C9—C10—H10A | 111.1 |
C2—Ag2—Ag3 | 56.6 (2) | C6—C10—H10A | 111.1 |
Ag1—Ag2—Ag3 | 58.31 (3) | C9—C10—H10B | 111.1 |
O6i—Ag2—Ag4i | 82.7 (3) | C6—C10—H10B | 111.1 |
O3i—Ag2—Ag4i | 74.7 (2) | H10A—C10—H10B | 109.0 |
C1—Ag2—Ag4i | 91.9 (3) | C12—C11—Ag9 | 132.8 (11) |
O17—Ag2—Ag4i | 165.7 (3) | C12—C11—Ag10 | 107.5 (11) |
C2—Ag2—Ag4i | 112.5 (2) | Ag9—C11—Ag10 | 85.4 (5) |
Ag1—Ag2—Ag4i | 60.89 (3) | C12—C11—Ag5 | 144.1 (11) |
Ag3—Ag2—Ag4i | 118.94 (4) | Ag9—C11—Ag5 | 81.0 (4) |
O18—Ag3—O2 | 89.9 (3) | Ag10—C11—Ag5 | 83.5 (5) |
O18—Ag3—C1 | 144.2 (3) | C12—C11—Ag11 | 82.7 (9) |
O2—Ag3—C1 | 125.5 (3) | Ag9—C11—Ag11 | 84.6 (5) |
O18—Ag3—O19 | 88.2 (3) | Ag10—C11—Ag11 | 169.0 (6) |
O2—Ag3—O19 | 91.7 (3) | Ag5—C11—Ag11 | 90.5 (5) |
C1—Ag3—O19 | 95.0 (4) | C11—C12—C13 | 166.7 (13) |
O18—Ag3—Ag1 | 162.6 (2) | C11—C12—Ag11 | 68.8 (9) |
O2—Ag3—Ag1 | 76.4 (2) | C13—C12—Ag11 | 114.0 (7) |
C1—Ag3—Ag1 | 49.4 (3) | C14—C13—C12 | 123.2 (7) |
O19—Ag3—Ag1 | 102.7 (3) | C14—C13—C12ii | 123.2 (7) |
O18—Ag3—Ag2 | 117.1 (2) | C12—C13—C12ii | 113.5 (14) |
O2—Ag3—Ag2 | 111.8 (3) | C13—C14—C15ii | 124.0 (8) |
C1—Ag3—Ag2 | 49.7 (3) | C13—C14—C15 | 124.0 (8) |
O19—Ag3—Ag2 | 144.4 (2) | C15ii—C14—C15 | 111.9 (16) |
Ag1—Ag3—Ag2 | 60.42 (3) | C14—C15—C16 | 101.5 (13) |
O4—Ag4—C1 | 148.8 (4) | C14—C15—H15A | 111.5 |
O4—Ag4—O20 | 94.7 (3) | C16—C15—H15A | 111.5 |
C1—Ag4—O20 | 106.4 (4) | C14—C15—H15B | 111.5 |
O4—Ag4—O5 | 118.4 (4) | C16—C15—H15B | 111.5 |
C1—Ag4—O5 | 86.5 (4) | H15A—C15—H15B | 109.3 |
O20—Ag4—O5 | 85.5 (3) | C16ii—C16—C15 | 112.3 (9) |
O4—Ag4—Ag1 | 101.8 (3) | C16ii—C16—H16A | 109.1 |
C1—Ag4—Ag1 | 50.6 (3) | C15—C16—H16A | 109.1 |
O20—Ag4—Ag1 | 152.5 (2) | C16ii—C16—H16B | 109.1 |
O5—Ag4—Ag1 | 105.3 (3) | C15—C16—H16B | 109.1 |
O4—Ag4—Ag1i | 130.1 (2) | H16A—C16—H16B | 107.9 |
C1—Ag4—Ag1i | 50.2 (3) | O17—S1—C33 | 105.9 (10) |
O20—Ag4—Ag1i | 127.3 (2) | O17—S1—C34 | 105.7 (9) |
O5—Ag4—Ag1i | 51.9 (3) | C33—S1—C34 | 98.7 (10) |
Ag1—Ag4—Ag1i | 53.92 (3) | S1—O17—Ag2 | 124.1 (7) |
O4—Ag4—Ag2i | 76.2 (2) | S1—C33—H33A | 109.5 |
C1—Ag4—Ag2i | 100.3 (3) | S1—C33—H33B | 109.5 |
O20—Ag4—Ag2i | 139.2 (2) | H33A—C33—H33B | 109.5 |
O5—Ag4—Ag2i | 65.8 (2) | S1—C33—H33C | 109.5 |
Ag1—Ag4—Ag2i | 67.06 (3) | H33A—C33—H33C | 109.5 |
Ag1i—Ag4—Ag2i | 54.74 (3) | H33B—C33—H33C | 109.5 |
C11—Ag5—C5 | 142.8 (5) | S1—C34—H34A | 109.5 |
C11—Ag5—O9 | 114.3 (5) | S1—C34—H34B | 109.5 |
C5—Ag5—O9 | 93.9 (4) | H34A—C34—H34B | 109.5 |
C11—Ag5—O7 | 90.9 (5) | S1—C34—H34C | 109.5 |
C5—Ag5—O7 | 113.9 (4) | H34A—C34—H34C | 109.5 |
O9—Ag5—O7 | 89.9 (5) | H34B—C34—H34C | 109.5 |
C11—Ag5—Ag7 | 107.0 (4) | O18—S2—C35 | 105.3 (8) |
C5—Ag5—Ag7 | 48.5 (3) | O18—S2—C36 | 104.4 (8) |
O9—Ag5—Ag7 | 138.6 (3) | C35—S2—C36 | 97.4 (10) |
O7—Ag5—Ag7 | 91.4 (3) | S2—O18—Ag3 | 129.8 (5) |
C11—Ag5—Ag9 | 48.3 (3) | S2—O18—Ag7 | 118.5 (5) |
C5—Ag5—Ag9 | 109.6 (3) | Ag3—O18—Ag7 | 111.6 (4) |
O9—Ag5—Ag9 | 93.3 (4) | S2—C35—H35A | 109.5 |
O7—Ag5—Ag9 | 136.1 (3) | S2—C35—H35B | 109.5 |
Ag7—Ag5—Ag9 | 113.39 (5) | H35A—C35—H35B | 109.5 |
C11—Ag5—Ag10 | 48.0 (4) | S2—C35—H35C | 109.5 |
C5—Ag5—Ag10 | 96.8 (3) | H35A—C35—H35C | 109.5 |
O9—Ag5—Ag10 | 154.5 (4) | H35B—C35—H35C | 109.5 |
O7—Ag5—Ag10 | 106.7 (4) | S2—C36—H36A | 109.5 |
Ag7—Ag5—Ag10 | 61.91 (4) | S2—C36—H36B | 109.5 |
Ag9—Ag5—Ag10 | 61.28 (4) | H36A—C36—H36B | 109.5 |
C11—Ag5—Ag8 | 96.5 (4) | S2—C36—H36C | 109.5 |
C5—Ag5—Ag8 | 48.3 (3) | H36A—C36—H36C | 109.5 |
O9—Ag5—Ag8 | 113.2 (3) | H36B—C36—H36C | 109.5 |
O7—Ag5—Ag8 | 149.7 (3) | O19—S3—C37 | 104.1 (7) |
Ag7—Ag5—Ag8 | 58.31 (3) | O19—S3—C38 | 104.3 (6) |
Ag9—Ag5—Ag8 | 64.91 (4) | C37—S3—C38 | 99.4 (9) |
Ag10—Ag5—Ag8 | 60.05 (3) | S3—O19—Ag6 | 132.5 (6) |
C11—Ag5—Ag11 | 46.1 (4) | S3—O19—Ag3 | 121.5 (5) |
C5—Ag5—Ag11 | 157.7 (3) | Ag6—O19—Ag3 | 103.5 (3) |
O9—Ag5—Ag11 | 69.3 (3) | S3—C37—H37A | 109.5 |
O7—Ag5—Ag11 | 81.6 (3) | S3—C37—H37B | 109.5 |
Ag7—Ag5—Ag11 | 151.55 (4) | H37A—C37—H37B | 109.5 |
Ag9—Ag5—Ag11 | 59.09 (4) | S3—C37—H37C | 109.5 |
Ag10—Ag5—Ag11 | 93.63 (4) | H37A—C37—H37C | 109.5 |
Ag8—Ag5—Ag11 | 123.95 (4) | H37B—C37—H37C | 109.5 |
C11—Ag5—Ag6 | 152.4 (3) | S3—C38—H38A | 109.5 |
C5—Ag5—Ag6 | 44.6 (3) | S3—C38—H38B | 109.5 |
O9—Ag5—Ag6 | 86.3 (3) | H38A—C38—H38B | 109.5 |
O7—Ag5—Ag6 | 70.0 (3) | S3—C38—H38C | 109.5 |
Ag7—Ag5—Ag6 | 55.73 (3) | H38A—C38—H38C | 109.5 |
Ag9—Ag5—Ag6 | 153.95 (4) | H38B—C38—H38C | 109.5 |
Ag10—Ag5—Ag6 | 117.25 (4) | O20—S4—C40 | 106.0 (8) |
Ag8—Ag5—Ag6 | 91.30 (4) | O20—S4—C39 | 103.9 (7) |
Ag11—Ag5—Ag6 | 142.51 (5) | C40—S4—C39 | 99.0 (9) |
O8—Ag6—O20 | 109.5 (4) | S4—O20—Ag6 | 129.3 (5) |
O8—Ag6—C5 | 115.9 (4) | S4—O20—Ag4 | 120.4 (5) |
O20—Ag6—C5 | 132.0 (4) | Ag6—O20—Ag4 | 106.7 (4) |
O8—Ag6—O19 | 96.7 (4) | S4—C39—H39A | 109.5 |
O20—Ag6—O19 | 78.6 (3) | S4—C39—H39B | 109.5 |
C5—Ag6—O19 | 110.0 (4) | H39A—C39—H39B | 109.5 |
O8—Ag6—C4 | 144.0 (4) | S4—C39—H39C | 109.5 |
O20—Ag6—C4 | 103.8 (3) | H39A—C39—H39C | 109.5 |
C5—Ag6—C4 | 28.6 (4) | H39B—C39—H39C | 109.5 |
O19—Ag6—C4 | 103.2 (3) | S4—C40—H40A | 109.5 |
O8—Ag6—Ag7 | 82.4 (3) | S4—C40—H40B | 109.5 |
O20—Ag6—Ag7 | 159.4 (2) | H40A—C40—H40B | 109.5 |
C5—Ag6—Ag7 | 46.8 (3) | S4—C40—H40C | 109.5 |
O19—Ag6—Ag7 | 83.5 (3) | H40A—C40—H40C | 109.5 |
C4—Ag6—Ag7 | 70.6 (3) | H40B—C40—H40C | 109.5 |
O8—Ag6—Ag5 | 78.9 (3) | O21—S5—C42 | 107.2 (8) |
O20—Ag6—Ag5 | 143.6 (2) | O21—S5—C41 | 102.8 (9) |
C5—Ag6—Ag5 | 42.0 (3) | C42—S5—C41 | 96.5 (10) |
O19—Ag6—Ag5 | 137.0 (3) | S5—O21—Ag11 | 123.7 (6) |
C4—Ag6—Ag5 | 66.0 (2) | S5—O21—Ag10ii | 112.5 (5) |
Ag7—Ag6—Ag5 | 53.47 (3) | Ag11—O21—Ag10ii | 121.0 (4) |
O11—Ag7—C5 | 168.6 (4) | S5—C41—H41A | 109.5 |
O11—Ag7—O18 | 90.8 (3) | S5—C41—H41B | 109.5 |
C5—Ag7—O18 | 98.2 (4) | H41A—C41—H41B | 109.5 |
O11—Ag7—Ag5 | 121.1 (3) | S5—C41—H41C | 109.5 |
C5—Ag7—Ag5 | 51.0 (3) | H41A—C41—H41C | 109.5 |
O18—Ag7—Ag5 | 147.8 (2) | H41B—C41—H41C | 109.5 |
O11—Ag7—Ag8 | 136.2 (3) | S5—C42—H42A | 109.5 |
C5—Ag7—Ag8 | 51.3 (3) | S5—C42—H42B | 109.5 |
O18—Ag7—Ag8 | 90.6 (2) | H42A—C42—H42B | 109.5 |
Ag5—Ag7—Ag8 | 63.70 (4) | S5—C42—H42C | 109.5 |
O11—Ag7—Ag6 | 119.2 (3) | H42A—C42—H42C | 109.5 |
C5—Ag7—Ag6 | 52.5 (3) | H42B—C42—H42C | 109.5 |
O18—Ag7—Ag6 | 99.3 (2) | O22—S6—C43 | 106.0 (9) |
Ag5—Ag7—Ag6 | 70.80 (4) | O22—S6—C44 | 101.3 (9) |
Ag8—Ag7—Ag6 | 103.75 (4) | C43—S6—C44 | 99.2 (12) |
O11—Ag7—Ag10 | 82.5 (2) | S6—O22—Ag9ii | 111.3 (6) |
C5—Ag7—Ag10 | 97.9 (3) | S6—O22—Ag11 | 132.2 (7) |
O18—Ag7—Ag10 | 125.0 (2) | Ag9ii—O22—Ag11 | 112.4 (3) |
Ag5—Ag7—Ag10 | 61.09 (3) | S6—C43—H43A | 109.5 |
Ag8—Ag7—Ag10 | 61.48 (3) | S6—C43—H43B | 109.5 |
Ag6—Ag7—Ag10 | 131.38 (5) | H43A—C43—H43B | 109.5 |
O13—Ag8—C5 | 141.1 (4) | S6—C43—H43C | 109.5 |
O13—Ag8—O15 | 93.9 (4) | H43A—C43—H43C | 109.5 |
C5—Ag8—O15 | 117.7 (4) | H43B—C43—H43C | 109.5 |
O13—Ag8—Ag7 | 98.9 (3) | S6—C44—H44A | 109.5 |
C5—Ag8—Ag7 | 48.3 (3) | S6—C44—H44B | 109.5 |
O15—Ag8—Ag7 | 166.0 (3) | H44A—C44—H44B | 109.5 |
O13—Ag8—Ag10 | 80.4 (3) | S6—C44—H44C | 109.5 |
C5—Ag8—Ag10 | 95.8 (3) | H44A—C44—H44C | 109.5 |
O15—Ag8—Ag10 | 127.0 (3) | H44B—C44—H44C | 109.5 |
Ag7—Ag8—Ag10 | 61.52 (3) | C17—O1—Ag1 | 120.3 (8) |
O13—Ag8—Ag5 | 139.2 (3) | C17—O2—Ag3 | 121.4 (9) |
C5—Ag8—Ag5 | 47.8 (3) | O1—C17—O2 | 129.1 (12) |
O15—Ag8—Ag5 | 114.5 (3) | O1—C17—C18 | 115.5 (11) |
Ag7—Ag8—Ag5 | 57.99 (3) | O2—C17—C18 | 115.3 (11) |
Ag10—Ag8—Ag5 | 59.34 (3) | F2—C18—F3 | 108.6 (9) |
O13—Ag8—Ag9 | 109.8 (3) | F2—C18—F1 | 106.6 (9) |
C5—Ag8—Ag9 | 100.1 (3) | F3—C18—F1 | 106.3 (9) |
O15—Ag8—Ag9 | 75.8 (3) | F2—C18—C17 | 110.4 (10) |
Ag7—Ag8—Ag9 | 105.01 (4) | F3—C18—C17 | 113.3 (10) |
Ag10—Ag8—Ag9 | 57.83 (3) | F1—C18—C17 | 111.4 (10) |
Ag5—Ag8—Ag9 | 55.32 (3) | C19—O3—Ag2i | 126.7 (8) |
C11—Ag9—O16 | 161.0 (5) | C19—O4—Ag4 | 125.0 (8) |
C11—Ag9—O22'ii | 106.7 (4) | O3—C19—O4 | 132.0 (11) |
O16—Ag9—O22'ii | 92.1 (4) | O3—C19—C20 | 114.4 (11) |
C11—Ag9—O22ii | 106.7 (4) | O4—C19—C20 | 113.6 (10) |
O16—Ag9—O22ii | 92.1 (4) | F4—C20—F5 | 108.0 (9) |
C11—Ag9—Ag5 | 50.7 (3) | F4—C20—F6 | 107.5 (9) |
O16—Ag9—Ag5 | 111.6 (3) | F5—C20—F6 | 106.1 (9) |
O22'ii—Ag9—Ag5 | 154.1 (2) | F4—C20—C19 | 113.5 (10) |
O22ii—Ag9—Ag5 | 154.1 (2) | F5—C20—C19 | 108.8 (10) |
C11—Ag9—Ag10 | 48.1 (4) | F6—C20—C19 | 112.6 (10) |
O16—Ag9—Ag10 | 135.0 (3) | C21—O5—Ag4 | 122.7 (9) |
O22'ii—Ag9—Ag10 | 94.9 (2) | C21—O5—Ag1i | 112.0 (9) |
O22ii—Ag9—Ag10 | 94.9 (2) | Ag4—O5—Ag1i | 76.9 (3) |
Ag5—Ag9—Ag10 | 61.13 (3) | C21—O6—Ag2i | 116.7 (9) |
C11—Ag9—Ag11 | 50.3 (4) | O5—C21—O6 | 129.7 (14) |
O16—Ag9—Ag11 | 120.5 (3) | O5—C21—C22 | 113.4 (12) |
O22'ii—Ag9—Ag11 | 110.5 (2) | O6—C21—C22 | 116.6 (12) |
O22ii—Ag9—Ag11 | 110.5 (2) | F7—C22—F9 | 109.3 (10) |
Ag5—Ag9—Ag11 | 66.98 (4) | F7—C22—F8 | 106.4 (10) |
Ag10—Ag9—Ag11 | 98.24 (4) | F9—C22—F8 | 105.1 (9) |
C11—Ag9—Ag8 | 94.1 (4) | F7—C22—C21 | 110.3 (12) |
O16—Ag9—Ag8 | 79.2 (3) | F9—C22—C21 | 113.8 (11) |
O22'ii—Ag9—Ag8 | 118.0 (2) | F8—C22—C21 | 111.6 (12) |
O22ii—Ag9—Ag8 | 118.0 (2) | C23—O7—Ag5 | 126.4 (11) |
Ag5—Ag9—Ag8 | 59.77 (3) | C23—O8—Ag6 | 123.3 (10) |
Ag10—Ag9—Ag8 | 58.36 (3) | O8—C23—O7 | 131.3 (15) |
Ag11—Ag9—Ag8 | 126.70 (5) | O8—C23—C24 | 114.9 (13) |
O14—Ag10—C11 | 168.5 (4) | O7—C23—C24 | 113.8 (14) |
O14—Ag10—O12 | 88.9 (4) | F10—C24—F11 | 107.6 (9) |
C11—Ag10—O12 | 102.1 (4) | F10—C24—F12 | 107.8 (9) |
O14—Ag10—O21ii | 81.1 (4) | F11—C24—F12 | 107.4 (10) |
C11—Ag10—O21ii | 95.2 (4) | F10—C24—C23 | 112.7 (12) |
O12—Ag10—O21ii | 90.5 (3) | F11—C24—C23 | 112.2 (11) |
O14—Ag10—Ag5 | 132.5 (3) | F12—C24—C23 | 108.9 (11) |
C11—Ag10—Ag5 | 48.6 (3) | C25—O9—Ag5 | 131.7 (10) |
O12—Ag10—Ag5 | 103.4 (3) | C25—O10—Ag11 | 119.7 (10) |
O21ii—Ag10—Ag5 | 142.9 (2) | O9—C25—O10 | 127.2 (15) |
O14—Ag10—Ag9 | 122.5 (3) | O9—C25—C26 | 116.3 (12) |
C11—Ag10—Ag9 | 46.5 (3) | O10—C25—C26 | 116.3 (12) |
O12—Ag10—Ag9 | 148.6 (3) | F15—C26—F14 | 108.2 (9) |
O21ii—Ag10—Ag9 | 93.3 (2) | F15—C26—F13 | 107.5 (10) |
Ag5—Ag10—Ag9 | 57.59 (3) | F14—C26—F13 | 106.4 (9) |
O14—Ag10—Ag8 | 77.2 (3) | F15—C26—C25 | 112.7 (11) |
C11—Ag10—Ag8 | 97.5 (3) | F14—C26—C25 | 112.4 (11) |
O12—Ag10—Ag8 | 132.4 (2) | F13—C26—C25 | 109.3 (11) |
O21ii—Ag10—Ag8 | 130.5 (2) | C27—O11—Ag7 | 123.8 (8) |
Ag5—Ag10—Ag8 | 60.61 (3) | C27—O12—Ag10 | 123.2 (8) |
Ag9—Ag10—Ag8 | 63.81 (4) | O12—C27—O11 | 128.0 (11) |
O14—Ag10—Ag7 | 82.9 (3) | O12—C27—C28 | 119.1 (11) |
C11—Ag10—Ag7 | 102.9 (3) | O11—C27—C28 | 112.9 (10) |
O12—Ag10—Ag7 | 76.4 (2) | F16—C28—F18 | 108.1 (9) |
O21ii—Ag10—Ag7 | 159.4 (2) | F16—C28—F17 | 107.2 (9) |
Ag5—Ag10—Ag7 | 57.00 (3) | F18—C28—F17 | 106.6 (9) |
Ag9—Ag10—Ag7 | 106.17 (4) | F16—C28—C27 | 112.2 (9) |
Ag8—Ag10—Ag7 | 57.00 (3) | F18—C28—C27 | 109.0 (10) |
O10—Ag11—O21 | 103.8 (4) | F17—C28—C27 | 113.4 (9) |
O10—Ag11—C11 | 124.3 (4) | C29—O13—Ag8 | 120.6 (10) |
O21—Ag11—C11 | 125.4 (4) | C29—O14—Ag10 | 126.0 (11) |
O10—Ag11—C12 | 141.1 (4) | O13—C29—O14 | 129.6 (16) |
O21—Ag11—C12 | 97.4 (4) | O13—C29—C30 | 116.5 (12) |
C11—Ag11—C12 | 28.5 (4) | O14—C29—C30 | 113.9 (13) |
O10—Ag11—O22 | 110.2 (4) | F19—C30—F21 | 107.2 (10) |
O21—Ag11—O22 | 88.5 (3) | F19—C30—F20 | 107.6 (10) |
C11—Ag11—O22 | 96.5 (4) | F21—C30—F20 | 107.4 (9) |
C12—Ag11—O22 | 102.5 (4) | F19—C30—C29 | 113.6 (11) |
O10—Ag11—Ag9 | 113.3 (3) | F21—C30—C29 | 112.8 (10) |
O21—Ag11—Ag9 | 136.3 (2) | F20—C30—C29 | 107.9 (11) |
C11—Ag11—Ag9 | 45.1 (3) | C31—O15—Ag8 | 123.5 (9) |
C12—Ag11—Ag9 | 67.5 (3) | C31—O16—Ag9 | 127.1 (10) |
O22—Ag11—Ag9 | 58.1 (2) | O16—C31—O15 | 130.8 (13) |
O10—Ag11—Ag5 | 81.3 (3) | O16—C31—C32 | 113.9 (12) |
O21—Ag11—Ag5 | 159.0 (3) | O15—C31—C32 | 115.0 (11) |
C11—Ag11—Ag5 | 43.4 (3) | F23—C32—F24 | 107.0 (9) |
C12—Ag11—Ag5 | 68.3 (3) | F23—C32—F22 | 108.0 (9) |
O22—Ag11—Ag5 | 109.2 (2) | F24—C32—F22 | 106.8 (9) |
Ag9—Ag11—Ag5 | 53.93 (3) | F23—C32—C31 | 111.7 (10) |
C2—C1—Ag1 | 169.3 (10) | F24—C32—C31 | 113.1 (10) |
C2—C1—Ag4 | 108.4 (8) | F22—C32—C31 | 110.1 (10) |
| | | |
Ag1—C1—C2—Ag2 | 47 (5) | Ag2i—O3—C19—O4 | −6 (2) |
Ag4—C1—C2—Ag2 | 174.7 (8) | Ag2i—O3—C19—C20 | 176.9 (8) |
Ag3—C1—C2—Ag2 | 80.0 (4) | Ag4—O4—C19—O3 | −19 (2) |
Ag1i—C1—C2—Ag2 | −92.1 (7) | Ag4—O4—C19—C20 | 157.9 (8) |
Ag2—C2—C3—C6 | 75.6 (14) | O3—C19—C20—F4 | 3.7 (16) |
Ag2—C2—C3—C4 | −100.8 (10) | O4—C19—C20—F4 | −174.0 (12) |
C6—C3—C4—Ag6 | 126.4 (11) | O3—C19—C20—F5 | −116.5 (13) |
C2—C3—C4—Ag6 | −57.0 (12) | O4—C19—C20—F5 | 65.8 (14) |
Ag6—C4—C5—Ag7 | 68.0 (12) | O3—C19—C20—F6 | 126.2 (13) |
Ag6—C4—C5—Ag5 | −86.8 (13) | O4—C19—C20—F6 | −51.5 (15) |
Ag6—C4—C5—Ag8 | 166.9 (8) | Ag4—O5—C21—O6 | −40 (2) |
C2—C3—C6—C7 | 0 (2) | Ag1i—O5—C21—O6 | 48.3 (18) |
C4—C3—C6—C7 | 176.1 (13) | Ag4—O5—C21—C22 | 146.6 (9) |
C2—C3—C6—C10 | −178.6 (12) | Ag1i—O5—C21—C22 | −125.2 (10) |
C4—C3—C6—C10 | −2 (2) | Ag2i—O6—C21—O5 | −7 (2) |
C3—C6—C7—C8 | −162.1 (14) | Ag2i—O6—C21—C22 | 166.6 (9) |
C10—C6—C7—C8 | 16.6 (16) | O5—C21—C22—F7 | −86.7 (15) |
C6—C7—C8—C9 | −32.9 (18) | O6—C21—C22—F7 | 98.9 (15) |
C7—C8—C9—C10 | 37.2 (19) | O5—C21—C22—F9 | 150.1 (13) |
C8—C9—C10—C6 | −26.6 (18) | O6—C21—C22—F9 | −24.3 (17) |
C3—C6—C10—C9 | −175.3 (14) | O5—C21—C22—F8 | 31.4 (16) |
C7—C6—C10—C9 | 6.0 (16) | O6—C21—C22—F8 | −143.0 (14) |
Ag9—C11—C12—C13 | −29 (7) | Ag6—O8—C23—O7 | 1 (3) |
Ag10—C11—C12—C13 | 71 (6) | Ag6—O8—C23—C24 | −177.5 (9) |
Ag5—C11—C12—C13 | 175 (4) | Ag5—O7—C23—O8 | −33 (3) |
Ag11—C11—C12—C13 | −105 (6) | Ag5—O7—C23—C24 | 145.4 (11) |
Ag9—C11—C12—Ag11 | 75.6 (13) | O8—C23—C24—F10 | −152.3 (14) |
Ag10—C11—C12—Ag11 | 175.9 (8) | O7—C23—C24—F10 | 28.7 (18) |
Ag5—C11—C12—Ag11 | −80.7 (18) | O8—C23—C24—F11 | −30.5 (19) |
C11—C12—C13—C14 | −146 (6) | O7—C23—C24—F11 | 150.4 (14) |
Ag11—C12—C13—C14 | 114.6 (5) | O8—C23—C24—F12 | 88.2 (16) |
C11—C12—C13—C12ii | 34 (6) | O7—C23—C24—F12 | −90.8 (16) |
Ag11—C12—C13—C12ii | −65.4 (5) | Ag5—O9—C25—O10 | 22 (3) |
C12—C13—C14—C15ii | 179.9 (10) | Ag5—O9—C25—C26 | −152.7 (10) |
C12ii—C13—C14—C15ii | −0.1 (10) | Ag11—O10—C25—O9 | 14 (2) |
C12—C13—C14—C15 | −0.1 (10) | Ag11—O10—C25—C26 | −171.3 (8) |
C12ii—C13—C14—C15 | 179.9 (10) | O9—C25—C26—F15 | −158.1 (14) |
C13—C14—C15—C16 | 178.2 (10) | O10—C25—C26—F15 | 26.4 (17) |
C15ii—C14—C15—C16 | −1.8 (10) | O9—C25—C26—F14 | −35.4 (17) |
C14—C15—C16—C16ii | 6 (3) | O10—C25—C26—F14 | 149.0 (12) |
C33—S1—O17—Ag2 | 69.1 (11) | O9—C25—C26—F13 | 82.5 (16) |
C34—S1—O17—Ag2 | −35.0 (12) | O10—C25—C26—F13 | −93.1 (14) |
C35—S2—O18—Ag3 | 18.1 (10) | Ag10—O12—C27—O11 | −9 (2) |
C36—S2—O18—Ag3 | −83.9 (9) | Ag10—O12—C27—C28 | 170.9 (8) |
C35—S2—O18—Ag7 | −158.2 (8) | Ag7—O11—C27—O12 | −16 (2) |
C36—S2—O18—Ag7 | 99.7 (8) | Ag7—O11—C27—C28 | 164.3 (8) |
C37—S3—O19—Ag6 | −69.0 (11) | O12—C27—C28—F16 | 17.8 (16) |
C38—S3—O19—Ag6 | 34.8 (10) | O11—C27—C28—F16 | −162.5 (11) |
C37—S3—O19—Ag3 | 89.8 (10) | O12—C27—C28—F18 | −101.9 (14) |
C38—S3—O19—Ag3 | −166.4 (7) | O11—C27—C28—F18 | 77.8 (13) |
C40—S4—O20—Ag6 | 60.5 (9) | O12—C27—C28—F17 | 139.4 (12) |
C39—S4—O20—Ag6 | −43.4 (10) | O11—C27—C28—F17 | −40.8 (15) |
C40—S4—O20—Ag4 | −95.2 (8) | Ag8—O13—C29—O14 | −9 (2) |
C39—S4—O20—Ag4 | 160.9 (8) | Ag8—O13—C29—C30 | 169.3 (8) |
C42—S5—O21—Ag11 | −67.7 (10) | Ag10—O14—C29—O13 | −16 (2) |
C41—S5—O21—Ag11 | 33.4 (11) | Ag10—O14—C29—C30 | 165.2 (8) |
C42—S5—O21—Ag10ii | 131.2 (7) | O13—C29—C30—F19 | −162.5 (13) |
C41—S5—O21—Ag10ii | −127.7 (9) | O14—C29—C30—F19 | 16.4 (17) |
C43—S6—O22—Ag9ii | 179.8 (9) | O13—C29—C30—F21 | −40.2 (17) |
C44—S6—O22—Ag9ii | −77.1 (10) | O14—C29—C30—F21 | 138.7 (12) |
C43—S6—O22—Ag11 | −25.0 (12) | O13—C29—C30—F20 | 78.3 (15) |
C44—S6—O22—Ag11 | 78.1 (11) | O14—C29—C30—F20 | −102.8 (14) |
Ag1—O1—C17—O2 | 5 (2) | Ag9—O16—C31—O15 | 0 (3) |
Ag1—O1—C17—C18 | −171.3 (8) | Ag9—O16—C31—C32 | −174.3 (8) |
Ag3—O2—C17—O1 | 25 (2) | Ag8—O15—C31—O16 | 18 (2) |
Ag3—O2—C17—C18 | −158.6 (8) | Ag8—O15—C31—C32 | −167.3 (8) |
O1—C17—C18—F2 | 97.6 (14) | O16—C31—C32—F23 | −37.6 (16) |
O2—C17—C18—F2 | −79.4 (14) | O15—C31—C32—F23 | 146.9 (13) |
O1—C17—C18—F3 | −24.6 (17) | O16—C31—C32—F24 | −158.4 (12) |
O2—C17—C18—F3 | 158.4 (12) | O15—C31—C32—F24 | 26.1 (17) |
O1—C17—C18—F1 | −144.2 (13) | O16—C31—C32—F22 | 82.3 (15) |
O2—C17—C18—F1 | 38.8 (16) | O15—C31—C32—F22 | −93.2 (14) |
Symmetry codes: (i) −x+3/2, −y+1/2, −z+1; (ii) −x+1, y, −z+1/2. |
Crystal data top
22(Ag+)·3(C11H102−)·16(C2F3O2−)·12(C2H6SO) | Z = 4 |
Mr = 5545.56 | F(000) = 10584 |
Monoclinic, C2/c | Dx = 2.469 Mg m−3 |
a = 21.9927 (13) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 14.8488 (13) Å | µ = 3.11 mm−1 |
c = 45.797 (3) Å | T = 173 K |
β = 93.937 (2)° | Block, yellow |
V = 14920.4 (19) Å3 | 0.50 × 0.50 × 0.40 mm |
Data collection top
Bruker APEX-II CCD diffractometer | 12140 reflections with I > 2σ(I) |
φ and ω scan | Rint = 0.131 |
Absorption correction: multi-scan SADABS (Bruker, 2003) | θmax = 25.3°, θmin = 1.7° |
Tmin = 0.305, Tmax = 0.369 | h = −26→26 |
164822 measured reflections | k = −17→17 |
13506 independent reflections | l = −54→54 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.064 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.164 | H-atom parameters constrained |
S = 1.14 | w = 1/[σ2(Fo2) + (0.0621P)2 + 504.2735P] where P = (Fo2 + 2Fc2)/3 |
13506 reflections | (Δ/σ)max = 0.001 |
998 parameters | Δρmax = 2.34 e Å−3 |
508 restraints | Δρmin = −2.24 e Å−3 |
Crystal data top
22(Ag+)·3(C11H102−)·16(C2F3O2−)·12(C2H6SO) | V = 14920.4 (19) Å3 |
Mr = 5545.56 | Z = 4 |
Monoclinic, C2/c | Mo Kα radiation |
a = 21.9927 (13) Å | µ = 3.11 mm−1 |
b = 14.8488 (13) Å | T = 173 K |
c = 45.797 (3) Å | 0.50 × 0.50 × 0.40 mm |
β = 93.937 (2)° | |
Data collection top
Bruker APEX-II CCD diffractometer | 13506 independent reflections |
Absorption correction: multi-scan SADABS (Bruker, 2003) | 12140 reflections with I > 2σ(I) |
Tmin = 0.305, Tmax = 0.369 | Rint = 0.131 |
164822 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.064 | 508 restraints |
wR(F2) = 0.164 | H-atom parameters constrained |
S = 1.14 | w = 1/[σ2(Fo2) + (0.0621P)2 + 504.2735P] where P = (Fo2 + 2Fc2)/3 |
13506 reflections | Δρmax = 2.34 e Å−3 |
998 parameters | Δρmin = −2.24 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag1 | 0.78934 (3) | 0.68328 (5) | 0.49160 (2) | 0.02263 (16) | |
Ag2 | 0.78734 (4) | 0.82858 (6) | 0.44754 (2) | 0.0398 (2) | |
Ag3 | 0.75820 (3) | 0.63562 (5) | 0.42987 (2) | 0.02748 (18) | |
Ag4 | 0.66586 (3) | 0.61903 (5) | 0.48612 (2) | 0.02833 (18) | |
Ag5 | 0.55050 (3) | 0.61107 (5) | 0.34015 (2) | 0.02221 (16) | |
Ag6 | 0.59408 (4) | 0.55934 (5) | 0.40930 (2) | 0.03211 (19) | |
Ag7 | 0.66991 (3) | 0.55186 (5) | 0.35906 (2) | 0.02186 (16) | |
Ag8 | 0.66011 (4) | 0.72902 (5) | 0.33473 (2) | 0.02775 (18) | |
Ag9 | 0.63728 (3) | 0.57202 (5) | 0.29451 (2) | 0.02596 (17) | |
Ag10 | 0.54797 (4) | 0.72234 (5) | 0.28909 (2) | 0.02852 (18) | |
Ag11 | 0.43225 (4) | 0.61153 (7) | 0.29338 (2) | 0.0451 (2) | |
C1 | 0.7103 (4) | 0.7344 (6) | 0.46118 (19) | 0.0215 (19) | |
C2 | 0.6709 (4) | 0.7559 (6) | 0.44217 (19) | 0.0168 (17) | |
C3 | 0.6234 (4) | 0.7759 (6) | 0.42031 (18) | 0.0196 (18) | |
C4 | 0.6203 (4) | 0.7146 (6) | 0.39587 (18) | 0.0155 (17) | |
C5 | 0.6209 (4) | 0.6668 (6) | 0.37422 (19) | 0.0195 (18) | |
C6 | 0.5850 (4) | 0.8460 (6) | 0.4211 (2) | 0.0240 (19) | |
C7 | 0.5346 (5) | 0.8637 (7) | 0.3981 (2) | 0.031 (2) | |
H7A | 0.4948 | 0.8596 | 0.4069 | 0.037* | |
H7B | 0.5355 | 0.8180 | 0.3825 | 0.037* | |
C8 | 0.5423 (5) | 0.9557 (8) | 0.3855 (2) | 0.038 (3) | |
H8A | 0.5078 | 0.9682 | 0.3711 | 0.046* | |
H8B | 0.5802 | 0.9572 | 0.3751 | 0.046* | |
C9 | 0.5450 (6) | 1.0280 (8) | 0.4085 (3) | 0.048 (3) | |
H9A | 0.5054 | 1.0314 | 0.4175 | 0.058* | |
H9B | 0.5526 | 1.0869 | 0.3993 | 0.058* | |
C10 | 0.5953 (6) | 1.0082 (8) | 0.4320 (3) | 0.042 (3) | |
H10A | 0.5941 | 1.0539 | 0.4477 | 0.050* | |
H10B | 0.6352 | 1.0132 | 0.4234 | 0.050* | |
C11 | 0.5894 (5) | 0.9149 (7) | 0.4452 (2) | 0.036 (2) | |
H11A | 0.6253 | 0.9021 | 0.4588 | 0.044* | |
H11B | 0.5525 | 0.9121 | 0.4564 | 0.044* | |
C12 | 0.5352 (4) | 0.5795 (6) | 0.29225 (19) | 0.0210 (18) | |
C13 | 0.5178 (4) | 0.5226 (6) | 0.2747 (2) | 0.0238 (19) | |
C14 | 0.5000 | 0.4662 (9) | 0.2500 | 0.024 (3) | |
C15 | 0.5000 | 0.3755 (12) | 0.2500 | 0.053 (4) | 0.5 |
C16 | 0.5015 (10) | 0.3245 (11) | 0.2799 (3) | 0.027 (4) | 0.5 |
H16A | 0.5212 | 0.3611 | 0.2960 | 0.032* | 0.5 |
H16B | 0.4601 | 0.3071 | 0.2850 | 0.032* | 0.5 |
C17 | 0.5396 (10) | 0.2429 (11) | 0.2733 (4) | 0.032 (5) | 0.5 |
H17A | 0.5491 | 0.2072 | 0.2913 | 0.038* | 0.5 |
H17B | 0.5783 | 0.2616 | 0.2653 | 0.038* | 0.5 |
C18 | 0.5000 | 0.1858 (13) | 0.2500 | 0.056 (5) | 0.5 |
H18A | 0.4724 | 0.1464 | 0.2605 | 0.068* | 0.25 |
H18B | 0.5276 | 0.1464 | 0.2395 | 0.068* | 0.25 |
C15' | 0.5000 | 0.3755 (12) | 0.2500 | 0.053 (4) | 0.5 |
C16' | 0.4605 (9) | 0.3228 (10) | 0.2262 (4) | 0.028 (4) | 0.5 |
H16C | 0.4210 | 0.3041 | 0.2335 | 0.033* | 0.5 |
H16D | 0.4529 | 0.3589 | 0.2082 | 0.033* | 0.5 |
C17' | 0.4993 (11) | 0.2424 (11) | 0.2789 (3) | 0.034 (5) | 0.5 |
H17C | 0.4574 | 0.2619 | 0.2824 | 0.041* | 0.5 |
H17D | 0.5159 | 0.2069 | 0.2960 | 0.041* | 0.5 |
C18' | 0.5000 | 0.1858 (13) | 0.2500 | 0.056 (5) | 0.5 |
H18C | 0.5364 | 0.1464 | 0.2514 | 0.068* | 0.25 |
H18D | 0.4636 | 0.1464 | 0.2486 | 0.068* | 0.25 |
S1 | 0.78487 (19) | 0.8805 (3) | 0.37164 (8) | 0.0651 (11) | |
O17 | 0.7667 (5) | 0.8145 (7) | 0.3937 (2) | 0.068 (3) | |
C35 | 0.8556 (7) | 0.9243 (11) | 0.3852 (4) | 0.074 (5) | |
H35A | 0.8869 | 0.8775 | 0.3845 | 0.111* | |
H35B | 0.8528 | 0.9441 | 0.4054 | 0.111* | |
H35C | 0.8664 | 0.9756 | 0.3731 | 0.111* | |
C36 | 0.7402 (8) | 0.9786 (12) | 0.3757 (4) | 0.073 (5) | |
H36A | 0.6978 | 0.9662 | 0.3688 | 0.110* | |
H36B | 0.7561 | 1.0276 | 0.3640 | 0.110* | |
H36C | 0.7420 | 0.9963 | 0.3963 | 0.110* | |
S2 | 0.82444 (12) | 0.5793 (2) | 0.36512 (6) | 0.0398 (7) | |
O18 | 0.7689 (3) | 0.5882 (5) | 0.38247 (15) | 0.0322 (16) | |
C37 | 0.8542 (7) | 0.4724 (10) | 0.3749 (4) | 0.062 (4) | |
H37A | 0.8281 | 0.4255 | 0.3657 | 0.093* | |
H37B | 0.8558 | 0.4655 | 0.3962 | 0.093* | |
H37C | 0.8954 | 0.4667 | 0.3682 | 0.093* | |
C38 | 0.8819 (6) | 0.6452 (10) | 0.3848 (3) | 0.058 (4) | |
H38A | 0.8730 | 0.7093 | 0.3819 | 0.087* | |
H38B | 0.9218 | 0.6314 | 0.3776 | 0.087* | |
H38C | 0.8825 | 0.6308 | 0.4057 | 0.087* | |
S3 | 0.70851 (12) | 0.41414 (18) | 0.44499 (6) | 0.0353 (6) | |
O19 | 0.6875 (3) | 0.5077 (5) | 0.4360 (2) | 0.0408 (19) | |
C39 | 0.6412 (5) | 0.3566 (8) | 0.4541 (3) | 0.038 (3) | |
H39A | 0.6278 | 0.3803 | 0.4726 | 0.057* | |
H39B | 0.6498 | 0.2921 | 0.4562 | 0.057* | |
H39C | 0.6089 | 0.3660 | 0.4385 | 0.057* | |
C40 | 0.7198 (8) | 0.3579 (10) | 0.4124 (3) | 0.062 (4) | |
H40A | 0.7563 | 0.3816 | 0.4039 | 0.092* | |
H40B | 0.6843 | 0.3670 | 0.3985 | 0.092* | |
H40C | 0.7251 | 0.2934 | 0.4163 | 0.092* | |
S4 | 0.50992 (12) | 0.58936 (19) | 0.47015 (6) | 0.0326 (6) | |
O20 | 0.5711 (3) | 0.5753 (5) | 0.45823 (15) | 0.0326 (16) | |
C41 | 0.4837 (6) | 0.6919 (8) | 0.4543 (3) | 0.049 (3) | |
H41A | 0.5068 | 0.7420 | 0.4635 | 0.073* | |
H41B | 0.4403 | 0.6995 | 0.4574 | 0.073* | |
H41C | 0.4893 | 0.6911 | 0.4333 | 0.073* | |
C42 | 0.4608 (6) | 0.5155 (9) | 0.4499 (3) | 0.052 (3) | |
H42A | 0.4693 | 0.4534 | 0.4562 | 0.077* | |
H42B | 0.4673 | 0.5213 | 0.4290 | 0.077* | |
H42C | 0.4184 | 0.5305 | 0.4532 | 0.077* | |
S5 | 0.30698 (15) | 0.4898 (2) | 0.26928 (6) | 0.0444 (7) | |
O21 | 0.3549 (4) | 0.5579 (6) | 0.26106 (16) | 0.045 (2) | |
C43 | 0.2612 (6) | 0.5447 (9) | 0.2933 (3) | 0.051 (3) | |
H43A | 0.2345 | 0.5876 | 0.2824 | 0.077* | |
H43B | 0.2871 | 0.5770 | 0.3081 | 0.077* | |
H43C | 0.2363 | 0.5003 | 0.3029 | 0.077* | |
C44 | 0.3463 (9) | 0.4194 (13) | 0.2956 (4) | 0.086 (6) | |
H44A | 0.3755 | 0.3817 | 0.2860 | 0.130* | |
H44B | 0.3169 | 0.3809 | 0.3049 | 0.130* | |
H44C | 0.3681 | 0.4568 | 0.3106 | 0.130* | |
S6 | 0.59192 (19) | 0.8495 (2) | 0.23326 (8) | 0.0426 (9) | 0.8 |
O22 | 0.5638 (3) | 0.7548 (5) | 0.23687 (17) | 0.0364 (17) | 0.8 |
C45 | 0.5982 (7) | 0.8621 (11) | 0.1948 (3) | 0.061 (4) | 0.8 |
H45A | 0.5580 | 0.8755 | 0.1852 | 0.092* | 0.8 |
H45B | 0.6138 | 0.8061 | 0.1868 | 0.092* | 0.8 |
H45C | 0.6263 | 0.9115 | 0.1913 | 0.092* | 0.8 |
C46 | 0.6716 (7) | 0.8270 (14) | 0.2433 (4) | 0.078 (5) | 0.8 |
H46A | 0.6773 | 0.8178 | 0.2645 | 0.117* | 0.8 |
H46B | 0.6963 | 0.8782 | 0.2377 | 0.117* | 0.8 |
H46C | 0.6842 | 0.7727 | 0.2332 | 0.117* | 0.8 |
S6' | 0.6140 (7) | 0.8004 (11) | 0.2195 (3) | 0.041 (3) | 0.2 |
O22' | 0.5638 (3) | 0.7548 (5) | 0.23687 (17) | 0.0364 (17) | 0.2 |
C45' | 0.5982 (7) | 0.8621 (11) | 0.1948 (3) | 0.061 (4) | 0.2 |
H45D | 0.5634 | 0.8378 | 0.1829 | 0.092* | 0.2 |
H45E | 0.6332 | 0.8680 | 0.1828 | 0.092* | 0.2 |
H45F | 0.5877 | 0.9214 | 0.2024 | 0.092* | 0.2 |
C46' | 0.6716 (7) | 0.8270 (14) | 0.2433 (4) | 0.078 (5) | 0.2 |
H46D | 0.6768 | 0.7796 | 0.2582 | 0.117* | 0.2 |
H46E | 0.6629 | 0.8843 | 0.2528 | 0.117* | 0.2 |
H46F | 0.7090 | 0.8326 | 0.2330 | 0.117* | 0.2 |
O1 | 0.8974 (4) | 0.7578 (6) | 0.49184 (18) | 0.045 (2) | |
O2 | 0.8873 (4) | 0.7930 (6) | 0.4443 (2) | 0.049 (2) | |
C19 | 0.9152 (5) | 0.7633 (7) | 0.4672 (2) | 0.027 (2) | |
C20 | 0.9780 (4) | 0.7220 (6) | 0.46322 (19) | 0.038 (3) | |
F1 | 0.9905 (5) | 0.7125 (9) | 0.43640 (18) | 0.132 (5) | |
F2 | 1.0199 (4) | 0.7694 (8) | 0.4765 (3) | 0.133 (5) | |
F3 | 0.9826 (5) | 0.6416 (7) | 0.4748 (3) | 0.141 (6) | |
O3 | 0.8332 (4) | 0.5483 (5) | 0.49281 (14) | 0.0355 (18) | |
O4 | 0.8401 (4) | 0.5427 (6) | 0.44397 (16) | 0.0396 (18) | |
C21 | 0.8495 (4) | 0.5157 (6) | 0.4696 (2) | 0.025 (2) | |
C22 | 0.8884 (4) | 0.4292 (6) | 0.47365 (19) | 0.042 (3) | |
F4 | 0.8742 (5) | 0.3781 (6) | 0.4951 (2) | 0.090 (3) | |
F5 | 0.9447 (4) | 0.4512 (7) | 0.4790 (3) | 0.133 (5) | |
F6 | 0.8847 (7) | 0.3806 (8) | 0.4503 (2) | 0.149 (6) | |
O5 | 0.7685 (4) | 0.9781 (5) | 0.44922 (17) | 0.045 (2) | |
O6 | 0.8220 (4) | 1.0117 (5) | 0.49086 (17) | 0.0387 (18) | |
C23 | 0.7898 (5) | 1.0291 (6) | 0.4684 (2) | 0.026 (2) | |
C24 | 0.7746 (4) | 1.1289 (7) | 0.46358 (19) | 0.040 (3) | |
F7 | 0.7487 (5) | 1.1624 (7) | 0.4857 (2) | 0.106 (4) | |
F8 | 0.7382 (5) | 1.1436 (6) | 0.4406 (2) | 0.117 (5) | |
F9 | 0.8235 (4) | 1.1746 (6) | 0.4608 (3) | 0.117 (4) | |
O7 | 0.5097 (5) | 0.4688 (7) | 0.3523 (3) | 0.075 (3) | |
O8 | 0.5608 (5) | 0.4239 (6) | 0.39316 (18) | 0.059 (3) | |
C25 | 0.5296 (6) | 0.4136 (8) | 0.3699 (2) | 0.038 (3) | |
C26 | 0.5147 (4) | 0.3148 (8) | 0.3618 (2) | 0.057 (3) | |
F10 | 0.4633 (4) | 0.3066 (7) | 0.3464 (2) | 0.085 (3) | |
F11 | 0.5575 (4) | 0.2834 (6) | 0.3466 (2) | 0.083 (3) | |
F12 | 0.5119 (6) | 0.2648 (7) | 0.38477 (17) | 0.122 (5) | |
O9 | 0.4657 (4) | 0.6813 (8) | 0.3609 (3) | 0.075 (4) | |
O10 | 0.3830 (4) | 0.6358 (7) | 0.33428 (18) | 0.047 (2) | |
C27 | 0.4115 (5) | 0.6686 (7) | 0.3560 (2) | 0.034 (2) | |
C28 | 0.3717 (4) | 0.6925 (6) | 0.3817 (2) | 0.040 (3) | |
F13 | 0.3141 (3) | 0.6898 (8) | 0.37499 (18) | 0.088 (3) | |
F14 | 0.3864 (4) | 0.7704 (5) | 0.3924 (2) | 0.102 (4) | |
F15 | 0.3823 (5) | 0.6342 (6) | 0.40308 (19) | 0.096 (3) | |
O11 | 0.7030 (4) | 0.4237 (5) | 0.34511 (16) | 0.0377 (18) | |
O12 | 0.6579 (4) | 0.4157 (5) | 0.29988 (18) | 0.046 (2) | |
C29 | 0.6873 (4) | 0.3861 (7) | 0.3217 (2) | 0.027 (2) | |
C30 | 0.7088 (4) | 0.2874 (6) | 0.32048 (18) | 0.040 (3) | |
F16 | 0.7684 (3) | 0.2844 (6) | 0.3206 (2) | 0.073 (3) | |
F17 | 0.6945 (4) | 0.2410 (5) | 0.34302 (18) | 0.071 (2) | |
F18 | 0.6872 (5) | 0.2470 (6) | 0.29714 (18) | 0.115 (5) | |
O13 | 0.7464 (4) | 0.7305 (5) | 0.3108 (2) | 0.046 (2) | |
O14 | 0.7368 (4) | 0.5905 (6) | 0.2931 (2) | 0.050 (2) | |
C31 | 0.7641 (5) | 0.6607 (7) | 0.2992 (2) | 0.032 (2) | |
C32 | 0.8312 (5) | 0.6627 (6) | 0.28966 (19) | 0.047 (3) | |
F19 | 0.8680 (3) | 0.7030 (5) | 0.30863 (15) | 0.059 (2) | |
F20 | 0.8316 (4) | 0.7065 (7) | 0.26516 (16) | 0.091 (3) | |
F21 | 0.8523 (4) | 0.5828 (5) | 0.2855 (3) | 0.105 (4) | |
O15 | 0.6420 (4) | 0.8787 (5) | 0.32315 (19) | 0.0419 (19) | |
O16 | 0.5514 (4) | 0.8659 (5) | 0.29905 (18) | 0.041 (2) | |
C33 | 0.5951 (4) | 0.9071 (6) | 0.3113 (2) | 0.024 (2) | |
C34 | 0.5868 (4) | 1.0114 (6) | 0.30942 (17) | 0.032 (2) | |
F22 | 0.5309 (3) | 1.0358 (4) | 0.31170 (17) | 0.056 (2) | |
F23 | 0.6211 (3) | 1.0534 (4) | 0.32930 (14) | 0.0502 (18) | |
F24 | 0.6036 (3) | 1.0383 (4) | 0.28404 (13) | 0.0528 (19) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0223 (3) | 0.0238 (4) | 0.0211 (3) | 0.0089 (3) | −0.0032 (3) | −0.0036 (3) |
Ag2 | 0.0338 (4) | 0.0264 (4) | 0.0597 (6) | −0.0024 (3) | 0.0076 (4) | 0.0101 (4) |
Ag3 | 0.0297 (4) | 0.0269 (4) | 0.0255 (4) | 0.0060 (3) | −0.0008 (3) | −0.0101 (3) |
Ag4 | 0.0324 (4) | 0.0248 (4) | 0.0273 (4) | −0.0039 (3) | −0.0018 (3) | 0.0033 (3) |
Ag5 | 0.0245 (3) | 0.0252 (4) | 0.0159 (3) | 0.0007 (3) | −0.0063 (3) | −0.0053 (3) |
Ag6 | 0.0468 (5) | 0.0262 (4) | 0.0238 (4) | −0.0052 (3) | 0.0055 (3) | −0.0020 (3) |
Ag7 | 0.0262 (4) | 0.0195 (3) | 0.0194 (3) | 0.0065 (3) | −0.0026 (3) | −0.0044 (3) |
Ag8 | 0.0342 (4) | 0.0205 (4) | 0.0292 (4) | 0.0018 (3) | 0.0070 (3) | 0.0031 (3) |
Ag9 | 0.0295 (4) | 0.0280 (4) | 0.0201 (3) | 0.0026 (3) | −0.0005 (3) | −0.0030 (3) |
Ag10 | 0.0354 (4) | 0.0161 (3) | 0.0321 (4) | −0.0012 (3) | −0.0114 (3) | 0.0013 (3) |
Ag11 | 0.0337 (5) | 0.0664 (6) | 0.0348 (5) | −0.0089 (4) | −0.0007 (4) | −0.0141 (4) |
C1 | 0.021 (4) | 0.024 (4) | 0.019 (4) | 0.003 (3) | 0.001 (3) | −0.005 (3) |
C2 | 0.016 (4) | 0.014 (4) | 0.019 (4) | −0.001 (3) | −0.005 (3) | −0.003 (3) |
C3 | 0.020 (4) | 0.024 (4) | 0.014 (4) | 0.006 (3) | −0.007 (3) | −0.005 (3) |
C4 | 0.017 (4) | 0.016 (4) | 0.012 (4) | 0.001 (3) | −0.006 (3) | 0.000 (3) |
C5 | 0.024 (4) | 0.018 (4) | 0.016 (4) | 0.001 (3) | −0.005 (3) | 0.002 (3) |
C6 | 0.028 (4) | 0.024 (4) | 0.019 (4) | 0.001 (4) | −0.005 (3) | −0.006 (3) |
C7 | 0.030 (5) | 0.030 (5) | 0.031 (5) | 0.012 (4) | −0.006 (4) | −0.006 (4) |
C8 | 0.040 (5) | 0.040 (5) | 0.032 (5) | 0.013 (5) | −0.011 (4) | 0.001 (4) |
C9 | 0.060 (6) | 0.033 (5) | 0.051 (6) | 0.013 (5) | −0.003 (5) | −0.002 (5) |
C10 | 0.047 (6) | 0.034 (5) | 0.044 (6) | 0.008 (5) | −0.001 (5) | −0.013 (5) |
C11 | 0.046 (5) | 0.036 (5) | 0.025 (5) | 0.013 (4) | −0.010 (4) | −0.013 (4) |
C12 | 0.028 (4) | 0.018 (4) | 0.016 (4) | −0.002 (3) | −0.008 (3) | −0.001 (3) |
C13 | 0.035 (5) | 0.018 (4) | 0.017 (4) | 0.000 (4) | −0.007 (4) | 0.004 (3) |
C14 | 0.040 (6) | 0.016 (5) | 0.015 (5) | 0.000 | −0.011 (5) | 0.000 |
C15 | 0.073 (7) | 0.038 (6) | 0.044 (7) | 0.000 | −0.017 (6) | 0.000 |
C16 | 0.030 (8) | 0.029 (8) | 0.020 (7) | 0.000 (7) | −0.007 (6) | 0.013 (6) |
C17 | 0.036 (8) | 0.024 (8) | 0.035 (8) | 0.004 (7) | −0.004 (7) | −0.007 (7) |
C18 | 0.070 (7) | 0.046 (7) | 0.053 (7) | 0.000 | 0.001 (6) | 0.000 |
C15' | 0.073 (7) | 0.038 (6) | 0.044 (7) | 0.000 | −0.017 (6) | 0.000 |
C16' | 0.027 (8) | 0.027 (8) | 0.028 (8) | −0.003 (7) | −0.004 (7) | −0.002 (6) |
C17' | 0.039 (9) | 0.025 (8) | 0.038 (8) | −0.003 (7) | 0.003 (7) | 0.004 (7) |
C18' | 0.070 (7) | 0.046 (7) | 0.053 (7) | 0.000 | 0.001 (6) | 0.000 |
S1 | 0.073 (2) | 0.077 (3) | 0.047 (2) | −0.029 (2) | 0.0182 (17) | −0.0290 (18) |
O17 | 0.072 (7) | 0.054 (6) | 0.081 (7) | −0.032 (5) | 0.029 (6) | −0.023 (5) |
C35 | 0.065 (9) | 0.057 (8) | 0.104 (12) | −0.016 (7) | 0.030 (9) | −0.001 (8) |
C36 | 0.068 (9) | 0.082 (10) | 0.065 (9) | 0.010 (8) | −0.030 (7) | 0.005 (8) |
S2 | 0.0297 (14) | 0.0650 (19) | 0.0246 (13) | −0.0007 (13) | 0.0012 (10) | 0.0002 (13) |
O18 | 0.024 (3) | 0.044 (4) | 0.028 (4) | −0.001 (3) | 0.000 (3) | −0.016 (3) |
C37 | 0.050 (7) | 0.056 (8) | 0.081 (10) | 0.005 (6) | 0.013 (7) | −0.019 (7) |
C38 | 0.041 (7) | 0.061 (8) | 0.072 (9) | −0.025 (6) | 0.004 (6) | −0.008 (7) |
S3 | 0.0309 (13) | 0.0304 (13) | 0.0450 (16) | 0.0046 (11) | 0.0054 (11) | 0.0044 (12) |
O19 | 0.021 (4) | 0.028 (4) | 0.073 (6) | 0.004 (3) | 0.004 (4) | 0.002 (4) |
C39 | 0.034 (5) | 0.036 (6) | 0.045 (6) | −0.011 (5) | 0.002 (5) | 0.004 (5) |
C40 | 0.087 (10) | 0.048 (7) | 0.053 (8) | 0.029 (7) | 0.024 (7) | 0.014 (6) |
S4 | 0.0288 (13) | 0.0395 (14) | 0.0297 (13) | 0.0053 (11) | 0.0041 (10) | 0.0044 (11) |
O20 | 0.022 (3) | 0.049 (5) | 0.027 (4) | −0.001 (3) | 0.004 (3) | −0.003 (3) |
C41 | 0.039 (6) | 0.039 (6) | 0.066 (8) | 0.006 (5) | −0.008 (6) | 0.004 (6) |
C42 | 0.038 (6) | 0.046 (7) | 0.070 (8) | −0.013 (5) | 0.002 (6) | −0.013 (6) |
S5 | 0.0527 (18) | 0.0508 (18) | 0.0307 (14) | −0.0273 (15) | 0.0094 (13) | −0.0064 (13) |
O21 | 0.052 (5) | 0.064 (6) | 0.019 (4) | −0.032 (4) | −0.004 (3) | 0.003 (4) |
C43 | 0.055 (7) | 0.049 (7) | 0.050 (7) | 0.003 (6) | 0.003 (6) | −0.004 (6) |
C44 | 0.094 (11) | 0.073 (10) | 0.094 (12) | 0.011 (9) | 0.020 (10) | 0.039 (9) |
S6 | 0.061 (2) | 0.0316 (18) | 0.0368 (19) | −0.0136 (17) | 0.0128 (17) | −0.0066 (16) |
O22 | 0.040 (4) | 0.030 (4) | 0.040 (4) | −0.003 (3) | 0.003 (3) | 0.004 (3) |
C45 | 0.067 (8) | 0.067 (8) | 0.051 (7) | −0.010 (7) | 0.008 (6) | 0.008 (6) |
C46 | 0.054 (8) | 0.114 (11) | 0.065 (8) | −0.028 (8) | −0.008 (7) | −0.009 (8) |
S6' | 0.051 (8) | 0.052 (9) | 0.018 (6) | −0.018 (7) | −0.002 (6) | 0.001 (6) |
O22' | 0.040 (4) | 0.030 (4) | 0.040 (4) | −0.003 (3) | 0.003 (3) | 0.004 (3) |
C45' | 0.067 (8) | 0.067 (8) | 0.051 (7) | −0.010 (7) | 0.008 (6) | 0.008 (6) |
C46' | 0.054 (8) | 0.114 (11) | 0.065 (8) | −0.028 (8) | −0.008 (7) | −0.009 (8) |
O1 | 0.041 (5) | 0.059 (5) | 0.036 (4) | 0.013 (4) | 0.011 (4) | −0.003 (4) |
O2 | 0.035 (4) | 0.060 (6) | 0.055 (5) | 0.009 (4) | 0.014 (4) | 0.016 (4) |
C19 | 0.028 (5) | 0.024 (4) | 0.030 (5) | 0.005 (4) | 0.004 (4) | −0.003 (4) |
C20 | 0.034 (5) | 0.043 (6) | 0.038 (5) | 0.004 (5) | 0.008 (4) | −0.003 (5) |
F1 | 0.103 (8) | 0.218 (13) | 0.079 (7) | 0.103 (9) | 0.024 (6) | −0.018 (8) |
F2 | 0.039 (5) | 0.164 (11) | 0.195 (12) | −0.004 (6) | 0.009 (6) | −0.109 (10) |
F3 | 0.091 (8) | 0.121 (9) | 0.216 (13) | 0.060 (7) | 0.046 (8) | 0.071 (9) |
O3 | 0.052 (5) | 0.035 (4) | 0.017 (3) | 0.023 (4) | −0.011 (3) | −0.007 (3) |
O4 | 0.041 (4) | 0.049 (5) | 0.030 (4) | 0.016 (4) | 0.006 (3) | 0.002 (3) |
C21 | 0.024 (4) | 0.024 (4) | 0.025 (5) | 0.004 (4) | −0.001 (4) | 0.001 (4) |
C22 | 0.044 (6) | 0.038 (5) | 0.045 (6) | 0.016 (5) | 0.004 (5) | −0.004 (5) |
F4 | 0.108 (7) | 0.055 (5) | 0.111 (8) | 0.040 (5) | 0.033 (6) | 0.036 (5) |
F5 | 0.053 (6) | 0.090 (8) | 0.254 (14) | 0.033 (5) | 0.007 (7) | 0.052 (9) |
F6 | 0.260 (15) | 0.103 (8) | 0.081 (7) | 0.111 (9) | −0.013 (9) | −0.032 (6) |
O5 | 0.069 (6) | 0.028 (4) | 0.036 (4) | 0.010 (4) | −0.011 (4) | 0.001 (3) |
O6 | 0.051 (5) | 0.022 (4) | 0.041 (4) | 0.001 (3) | −0.014 (4) | 0.004 (3) |
C23 | 0.037 (5) | 0.019 (4) | 0.024 (4) | 0.003 (4) | 0.012 (4) | −0.005 (4) |
C24 | 0.045 (6) | 0.032 (5) | 0.042 (6) | 0.009 (5) | 0.006 (5) | 0.006 (4) |
F7 | 0.159 (10) | 0.063 (6) | 0.101 (8) | 0.048 (6) | 0.052 (7) | 0.005 (5) |
F8 | 0.179 (11) | 0.051 (5) | 0.109 (8) | 0.034 (6) | −0.074 (8) | 0.004 (5) |
F9 | 0.099 (8) | 0.045 (5) | 0.212 (13) | −0.004 (5) | 0.041 (8) | 0.031 (7) |
O7 | 0.070 (7) | 0.050 (6) | 0.098 (8) | −0.026 (5) | −0.031 (6) | 0.031 (6) |
O8 | 0.099 (8) | 0.040 (5) | 0.032 (5) | −0.015 (5) | −0.024 (5) | −0.001 (4) |
C25 | 0.050 (6) | 0.037 (5) | 0.027 (5) | −0.016 (5) | 0.007 (4) | 0.004 (4) |
C26 | 0.070 (7) | 0.062 (7) | 0.039 (6) | −0.016 (6) | −0.004 (6) | 0.002 (5) |
F10 | 0.083 (6) | 0.089 (7) | 0.083 (6) | −0.039 (5) | 0.002 (5) | −0.030 (5) |
F11 | 0.096 (7) | 0.069 (6) | 0.084 (6) | 0.010 (5) | −0.006 (5) | −0.034 (5) |
F12 | 0.237 (13) | 0.065 (6) | 0.063 (6) | −0.070 (8) | −0.003 (7) | 0.010 (5) |
O9 | 0.027 (5) | 0.097 (8) | 0.099 (8) | −0.005 (5) | 0.004 (5) | −0.069 (7) |
O10 | 0.033 (4) | 0.071 (6) | 0.038 (4) | 0.001 (4) | −0.002 (3) | −0.016 (4) |
C27 | 0.029 (5) | 0.032 (5) | 0.041 (5) | 0.004 (4) | −0.005 (4) | −0.004 (4) |
C28 | 0.036 (5) | 0.046 (6) | 0.037 (5) | 0.004 (5) | −0.009 (4) | −0.004 (5) |
F13 | 0.039 (4) | 0.173 (10) | 0.053 (5) | 0.016 (5) | −0.001 (4) | −0.013 (6) |
F14 | 0.109 (8) | 0.068 (6) | 0.136 (9) | −0.007 (6) | 0.064 (7) | −0.048 (6) |
F15 | 0.129 (9) | 0.110 (8) | 0.049 (5) | 0.032 (7) | 0.012 (5) | 0.017 (5) |
O11 | 0.052 (5) | 0.031 (4) | 0.029 (4) | 0.012 (3) | −0.009 (3) | −0.012 (3) |
O12 | 0.065 (6) | 0.028 (4) | 0.041 (5) | 0.011 (4) | −0.028 (4) | −0.006 (3) |
C29 | 0.022 (4) | 0.024 (4) | 0.033 (5) | 0.003 (4) | −0.001 (4) | −0.003 (4) |
C30 | 0.041 (5) | 0.035 (5) | 0.043 (6) | 0.020 (5) | −0.005 (5) | −0.014 (5) |
F16 | 0.047 (4) | 0.077 (6) | 0.097 (7) | 0.035 (4) | 0.011 (4) | 0.008 (5) |
F17 | 0.087 (6) | 0.033 (4) | 0.094 (6) | 0.001 (4) | 0.019 (5) | 0.009 (4) |
F18 | 0.168 (10) | 0.068 (6) | 0.095 (7) | 0.065 (6) | −0.086 (7) | −0.064 (5) |
O13 | 0.046 (5) | 0.037 (5) | 0.058 (5) | −0.006 (4) | 0.026 (4) | −0.008 (4) |
O14 | 0.038 (5) | 0.049 (5) | 0.065 (6) | −0.005 (4) | 0.012 (4) | −0.018 (4) |
C31 | 0.029 (5) | 0.036 (5) | 0.031 (5) | 0.001 (4) | 0.001 (4) | 0.002 (4) |
C32 | 0.046 (6) | 0.056 (6) | 0.042 (6) | 0.003 (5) | 0.011 (5) | −0.007 (5) |
F19 | 0.031 (4) | 0.088 (6) | 0.059 (5) | −0.014 (4) | 0.001 (3) | 0.006 (4) |
F20 | 0.056 (5) | 0.166 (10) | 0.051 (5) | −0.022 (6) | 0.017 (4) | 0.024 (6) |
F21 | 0.068 (6) | 0.086 (7) | 0.168 (11) | 0.010 (5) | 0.049 (7) | −0.036 (7) |
O15 | 0.041 (4) | 0.022 (4) | 0.061 (5) | −0.003 (3) | −0.011 (4) | 0.003 (4) |
O16 | 0.054 (5) | 0.014 (3) | 0.053 (5) | −0.005 (3) | −0.019 (4) | −0.001 (3) |
C33 | 0.029 (5) | 0.017 (4) | 0.027 (4) | −0.002 (4) | 0.003 (4) | −0.001 (3) |
C34 | 0.040 (5) | 0.017 (4) | 0.040 (5) | −0.003 (4) | 0.003 (4) | 0.005 (4) |
F22 | 0.049 (4) | 0.024 (3) | 0.095 (6) | 0.011 (3) | −0.001 (4) | 0.007 (4) |
F23 | 0.068 (5) | 0.020 (3) | 0.060 (4) | −0.009 (3) | −0.017 (4) | −0.005 (3) |
F24 | 0.078 (5) | 0.032 (3) | 0.048 (4) | −0.005 (3) | 0.005 (4) | 0.019 (3) |
Geometric parameters (Å, º) top
Ag1—O3 | 2.223 (7) | C17'—H17C | 0.9900 |
Ag1—C1 | 2.281 (9) | C17'—H17D | 0.9900 |
Ag1—C1i | 2.484 (9) | S1—O17 | 1.483 (11) |
Ag1—Ag1i | 2.7742 (13) | S1—C35 | 1.758 (17) |
Ag1—Ag4 | 2.8731 (11) | S1—C36 | 1.774 (17) |
Ag1—Ag3 | 2.9487 (10) | C35—H35A | 0.9800 |
Ag1—Ag2 | 2.9522 (11) | C35—H35B | 0.9800 |
Ag1—Ag4i | 3.2391 (10) | C35—H35C | 0.9800 |
Ag1—Ag2i | 3.3600 (12) | C36—H36A | 0.9800 |
Ag2—O5 | 2.261 (8) | C36—H36B | 0.9800 |
Ag2—O2 | 2.276 (8) | C36—H36C | 0.9800 |
Ag2—C1 | 2.315 (9) | S2—O18 | 1.509 (7) |
Ag2—O17 | 2.485 (11) | S2—C37 | 1.764 (15) |
Ag2—Ag3 | 3.0337 (12) | S2—C38 | 1.792 (13) |
Ag2—Ag4i | 3.2353 (13) | C37—H37A | 0.9800 |
Ag2—Ag1i | 3.3601 (12) | C37—H37B | 0.9800 |
Ag3—O18 | 2.310 (7) | C37—H37C | 0.9800 |
Ag3—O4 | 2.324 (8) | C38—H38A | 0.9800 |
Ag3—C1 | 2.350 (9) | C38—H38B | 0.9800 |
Ag3—O19 | 2.482 (8) | C38—H38C | 0.9800 |
Ag3—C2 | 2.709 (8) | S3—O19 | 1.513 (8) |
Ag4—O6i | 2.217 (7) | S3—C40 | 1.744 (14) |
Ag4—C1 | 2.313 (10) | S3—C39 | 1.783 (11) |
Ag4—O20 | 2.455 (7) | C39—H39A | 0.9800 |
Ag4—O1i | 2.547 (8) | C39—H39B | 0.9800 |
Ag4—Ag2i | 3.2353 (13) | C39—H39C | 0.9800 |
Ag4—Ag1i | 3.2392 (10) | C40—H40A | 0.9800 |
Ag5—C12 | 2.246 (8) | C40—H40B | 0.9800 |
Ag5—C5 | 2.277 (9) | C40—H40C | 0.9800 |
Ag5—O7 | 2.376 (9) | S4—O20 | 1.502 (7) |
Ag5—O9 | 2.391 (9) | S4—C42 | 1.759 (12) |
Ag5—Ag7 | 2.8474 (10) | S4—C41 | 1.767 (12) |
Ag5—Ag10 | 2.8606 (10) | C41—H41A | 0.9800 |
Ag5—Ag9 | 2.9825 (10) | C41—H41B | 0.9800 |
Ag5—Ag8 | 3.0038 (10) | C41—H41C | 0.9800 |
Ag5—Ag11 | 3.2536 (11) | C42—H42A | 0.9800 |
Ag5—Ag6 | 3.3347 (10) | C42—H42B | 0.9800 |
Ag6—O8 | 2.248 (9) | C42—H42C | 0.9800 |
Ag6—O20 | 2.342 (7) | S5—O21 | 1.526 (8) |
Ag6—C5 | 2.368 (9) | S5—C43 | 1.743 (13) |
Ag6—O19 | 2.442 (8) | S5—C44 | 1.775 (17) |
Ag6—C4 | 2.464 (8) | O21—Ag9ii | 2.571 (7) |
Ag6—Ag7 | 2.9349 (11) | C43—H43A | 0.9800 |
Ag7—O11 | 2.151 (7) | C43—H43B | 0.9800 |
Ag7—C5 | 2.159 (9) | C43—H43C | 0.9800 |
Ag7—O18 | 2.420 (7) | C44—H44A | 0.9800 |
Ag7—Ag8 | 2.8593 (10) | C44—H44B | 0.9800 |
Ag7—Ag9 | 3.0087 (10) | C44—H44C | 0.9800 |
Ag8—C5 | 2.254 (9) | S6—O22 | 1.549 (8) |
Ag8—O13 | 2.257 (8) | S6—C45 | 1.785 (15) |
Ag8—O15 | 2.314 (7) | S6—C46 | 1.812 (17) |
Ag8—Ag9 | 2.9921 (11) | O22—Ag11ii | 2.544 (8) |
Ag8—Ag10 | 3.1228 (11) | C45—H45A | 0.9800 |
Ag9—O14 | 2.211 (8) | C45—H45B | 0.9800 |
Ag9—C12 | 2.243 (9) | C45—H45C | 0.9800 |
Ag9—O12 | 2.374 (8) | C46—H46A | 0.9800 |
Ag9—O21ii | 2.571 (7) | C46—H46B | 0.9800 |
Ag9—Ag10 | 2.9723 (11) | C46—H46C | 0.9800 |
Ag10—C12 | 2.146 (9) | O1—C19 | 1.223 (13) |
Ag10—O16 | 2.180 (7) | O1—Ag4i | 2.547 (8) |
Ag10—O22 | 2.488 (8) | O2—C19 | 1.256 (13) |
Ag10—Ag11 | 3.0483 (12) | C19—C20 | 1.533 (13) |
Ag11—O10 | 2.256 (8) | C20—F2 | 1.280 (8) |
Ag11—C12 | 2.317 (9) | C20—F1 | 1.285 (8) |
Ag11—O21 | 2.318 (7) | C20—F3 | 1.306 (9) |
Ag11—C13 | 2.497 (10) | O3—C21 | 1.242 (12) |
Ag11—O22'ii | 2.544 (8) | O4—C21 | 1.245 (12) |
Ag11—O22ii | 2.544 (8) | C21—C22 | 1.547 (13) |
C1—C2 | 1.228 (13) | C22—F6 | 1.289 (8) |
C1—Ag1i | 2.484 (9) | C22—F5 | 1.289 (9) |
C2—C3 | 1.428 (12) | C22—F4 | 1.295 (8) |
C3—C6 | 1.343 (13) | O5—C23 | 1.227 (13) |
C3—C4 | 1.441 (12) | O6—C23 | 1.236 (12) |
C4—C5 | 1.220 (12) | O6—Ag4i | 2.217 (7) |
C6—C7 | 1.497 (13) | C23—C24 | 1.531 (13) |
C6—C11 | 1.504 (13) | C24—F9 | 1.285 (9) |
C7—C8 | 1.497 (16) | C24—F8 | 1.296 (8) |
C7—H7A | 0.9900 | C24—F7 | 1.298 (8) |
C7—H7B | 0.9900 | O7—C25 | 1.211 (15) |
C8—C9 | 1.501 (16) | O8—C25 | 1.234 (14) |
C8—H8A | 0.9900 | C25—C26 | 1.544 (16) |
C8—H8B | 0.9900 | C26—F12 | 1.293 (9) |
C9—C10 | 1.517 (17) | C26—F11 | 1.295 (9) |
C9—H9A | 0.9900 | C26—F10 | 1.297 (9) |
C9—H9B | 0.9900 | O9—C27 | 1.213 (13) |
C10—C11 | 1.522 (17) | O10—C27 | 1.237 (13) |
C10—H10A | 0.9900 | C27—C28 | 1.557 (15) |
C10—H10B | 0.9900 | C28—F13 | 1.284 (8) |
C11—H11A | 0.9900 | C28—F14 | 1.288 (8) |
C11—H11B | 0.9900 | C28—F15 | 1.314 (8) |
C12—C13 | 1.210 (13) | O11—C29 | 1.238 (12) |
C13—C14 | 1.440 (12) | O12—C29 | 1.232 (12) |
C14—C15 | 1.35 (2) | C29—C30 | 1.543 (13) |
C14—C13ii | 1.440 (12) | C30—F18 | 1.288 (8) |
C15—C16ii | 1.562 (15) | C30—F17 | 1.298 (8) |
C15—C16 | 1.562 (15) | C30—F16 | 1.311 (8) |
C16—C17 | 1.51 (3) | O13—C31 | 1.239 (13) |
C16—H16A | 0.9900 | O14—C31 | 1.226 (14) |
C16—H16B | 0.9900 | C31—C32 | 1.566 (15) |
C17—C18 | 1.577 (18) | C32—F21 | 1.292 (8) |
C17—H17A | 0.9900 | C32—F19 | 1.295 (8) |
C17—H17B | 0.9900 | C32—F20 | 1.298 (8) |
C18—C17ii | 1.577 (18) | O15—C33 | 1.207 (12) |
C18—H18A | 0.9900 | O16—C33 | 1.242 (12) |
C18—H18B | 0.9900 | C33—C34 | 1.563 (12) |
C16'—C17'ii | 1.51 (3) | C34—F22 | 1.293 (8) |
C16'—H16C | 0.9900 | C34—F23 | 1.301 (8) |
C16'—H16D | 0.9900 | C34—F24 | 1.306 (8) |
C17'—C16'ii | 1.51 (3) | | |
| | | |
O3—Ag1—C1 | 128.8 (3) | Ag1—C1—Ag3 | 79.1 (3) |
O3—Ag1—C1i | 116.5 (3) | Ag4—C1—Ag3 | 93.5 (3) |
C1—Ag1—C1i | 108.9 (2) | Ag2—C1—Ag3 | 81.1 (3) |
O3—Ag1—Ag1i | 156.2 (2) | C2—C1—Ag1i | 116.7 (7) |
C1—Ag1—Ag1i | 57.9 (2) | Ag1—C1—Ag1i | 71.1 (2) |
C1i—Ag1—Ag1i | 51.1 (2) | Ag4—C1—Ag1i | 84.9 (3) |
O3—Ag1—Ag4 | 96.2 (2) | Ag2—C1—Ag1i | 88.8 (3) |
C1—Ag1—Ag4 | 51.8 (2) | Ag3—C1—Ag1i | 149.8 (4) |
C1i—Ag1—Ag4 | 100.7 (2) | C1—C2—C3 | 176.6 (10) |
Ag1i—Ag1—Ag4 | 69.98 (3) | C1—C2—Ag3 | 60.0 (5) |
O3—Ag1—Ag3 | 83.07 (17) | C3—C2—Ag3 | 119.1 (6) |
C1—Ag1—Ag3 | 51.5 (2) | C6—C3—C2 | 125.1 (8) |
C1i—Ag1—Ag3 | 160.0 (2) | C6—C3—C4 | 120.9 (8) |
Ag1i—Ag1—Ag3 | 109.22 (4) | C2—C3—C4 | 114.0 (7) |
Ag4—Ag1—Ag3 | 71.38 (3) | C5—C4—C3 | 175.0 (10) |
O3—Ag1—Ag2 | 131.4 (2) | C5—C4—Ag6 | 71.0 (6) |
C1—Ag1—Ag2 | 50.5 (2) | C3—C4—Ag6 | 113.4 (6) |
C1i—Ag1—Ag2 | 103.6 (2) | C4—C5—Ag7 | 139.0 (7) |
Ag1i—Ag1—Ag2 | 71.78 (3) | C4—C5—Ag8 | 116.1 (7) |
Ag4—Ag1—Ag2 | 102.32 (3) | Ag7—C5—Ag8 | 80.7 (3) |
Ag3—Ag1—Ag2 | 61.88 (3) | C4—C5—Ag5 | 136.4 (7) |
O3—Ag1—Ag4i | 133.4 (2) | Ag7—C5—Ag5 | 79.8 (3) |
C1—Ag1—Ag4i | 95.3 (2) | Ag8—C5—Ag5 | 83.0 (3) |
C1i—Ag1—Ag4i | 45.3 (2) | C4—C5—Ag6 | 79.8 (6) |
Ag1i—Ag1—Ag4i | 56.44 (3) | Ag7—C5—Ag6 | 80.7 (3) |
Ag4—Ag1—Ag4i | 126.42 (3) | Ag8—C5—Ag6 | 161.3 (4) |
Ag3—Ag1—Ag4i | 124.42 (3) | Ag5—C5—Ag6 | 91.8 (3) |
Ag2—Ag1—Ag4i | 62.80 (3) | C3—C6—C7 | 123.8 (8) |
O3—Ag1—Ag2i | 100.0 (2) | C3—C6—C11 | 122.5 (8) |
C1—Ag1—Ag2i | 96.9 (2) | C7—C6—C11 | 113.7 (8) |
C1i—Ag1—Ag2i | 43.5 (2) | C6—C7—C8 | 109.5 (9) |
Ag1i—Ag1—Ag2i | 56.57 (3) | C6—C7—H7A | 109.8 |
Ag4—Ag1—Ag2i | 61.96 (3) | C8—C7—H7A | 109.8 |
Ag3—Ag1—Ag2i | 133.31 (3) | C6—C7—H7B | 109.8 |
Ag2—Ag1—Ag2i | 128.35 (3) | C8—C7—H7B | 109.8 |
Ag4i—Ag1—Ag2i | 86.86 (3) | H7A—C7—H7B | 108.2 |
O5—Ag2—O2 | 114.2 (3) | C7—C8—C9 | 112.5 (10) |
O5—Ag2—C1 | 116.4 (3) | C7—C8—H8A | 109.1 |
O2—Ag2—C1 | 127.2 (3) | C9—C8—H8A | 109.1 |
O5—Ag2—O17 | 95.5 (3) | C7—C8—H8B | 109.1 |
O2—Ag2—O17 | 91.6 (3) | C9—C8—H8B | 109.1 |
C1—Ag2—O17 | 97.4 (3) | H8A—C8—H8B | 107.8 |
O5—Ag2—Ag1 | 133.5 (2) | C8—C9—C10 | 110.5 (10) |
O2—Ag2—Ag1 | 84.6 (2) | C8—C9—H9A | 109.6 |
C1—Ag2—Ag1 | 49.5 (2) | C10—C9—H9A | 109.6 |
O17—Ag2—Ag1 | 127.6 (2) | C8—C9—H9B | 109.6 |
O5—Ag2—Ag3 | 154.2 (2) | C10—C9—H9B | 109.6 |
O2—Ag2—Ag3 | 87.2 (3) | H9A—C9—H9B | 108.1 |
C1—Ag2—Ag3 | 49.9 (2) | C9—C10—C11 | 112.3 (10) |
O17—Ag2—Ag3 | 68.6 (2) | C9—C10—H10A | 109.1 |
Ag1—Ag2—Ag3 | 59.01 (3) | C11—C10—H10A | 109.1 |
O5—Ag2—Ag4i | 77.2 (2) | C9—C10—H10B | 109.1 |
O2—Ag2—Ag4i | 82.5 (2) | C11—C10—H10B | 109.1 |
C1—Ag2—Ag4i | 94.8 (2) | H10A—C10—H10B | 107.9 |
O17—Ag2—Ag4i | 167.6 (2) | C6—C11—C10 | 109.3 (9) |
Ag1—Ag2—Ag4i | 62.94 (3) | C6—C11—H11A | 109.8 |
Ag3—Ag2—Ag4i | 121.69 (3) | C10—C11—H11A | 109.8 |
O5—Ag2—Ag1i | 85.4 (2) | C6—C11—H11B | 109.8 |
O2—Ag2—Ag1i | 125.7 (2) | C10—C11—H11B | 109.8 |
C1—Ag2—Ag1i | 47.6 (2) | H11A—C11—H11B | 108.3 |
O17—Ag2—Ag1i | 138.6 (2) | C13—C12—Ag10 | 133.0 (7) |
Ag1—Ag2—Ag1i | 51.65 (3) | C13—C12—Ag9 | 105.4 (7) |
Ag3—Ag2—Ag1i | 93.61 (3) | Ag10—C12—Ag9 | 85.2 (3) |
Ag4i—Ag2—Ag1i | 51.61 (2) | C13—C12—Ag5 | 144.5 (8) |
O18—Ag3—O4 | 87.3 (3) | Ag10—C12—Ag5 | 81.3 (3) |
O18—Ag3—C1 | 147.4 (3) | Ag9—C12—Ag5 | 83.3 (3) |
O4—Ag3—C1 | 124.9 (3) | C13—C12—Ag11 | 83.9 (7) |
O18—Ag3—O19 | 88.7 (3) | Ag10—C12—Ag11 | 86.1 (3) |
O4—Ag3—O19 | 89.6 (3) | Ag9—C12—Ag11 | 170.2 (4) |
C1—Ag3—O19 | 95.6 (3) | Ag5—C12—Ag11 | 90.9 (3) |
O18—Ag3—C2 | 121.0 (3) | C12—C13—C14 | 170.0 (10) |
O4—Ag3—C2 | 151.6 (3) | C12—C13—Ag11 | 67.3 (6) |
C1—Ag3—C2 | 26.9 (3) | C14—C13—Ag11 | 114.0 (5) |
O19—Ag3—C2 | 91.3 (2) | C15—C14—C13 | 125.6 (5) |
O18—Ag3—Ag1 | 160.46 (17) | C15—C14—C13ii | 125.6 (5) |
O4—Ag3—Ag1 | 75.61 (19) | C13—C14—C13ii | 108.8 (11) |
C1—Ag3—Ag1 | 49.4 (2) | C14—C15—C16ii | 119.0 (9) |
O19—Ag3—Ag1 | 100.4 (2) | C14—C15—C16 | 119.0 (9) |
C2—Ag3—Ag1 | 76.33 (18) | C16ii—C15—C16 | 122.1 (17) |
O18—Ag3—Ag2 | 120.4 (2) | C17—C16—C15 | 101.1 (14) |
O4—Ag3—Ag2 | 109.9 (2) | C17—C16—H16A | 111.6 |
C1—Ag3—Ag2 | 48.9 (2) | C15—C16—H16A | 111.6 |
O19—Ag3—Ag2 | 144.55 (19) | C17—C16—H16B | 111.6 |
C2—Ag3—Ag2 | 57.42 (18) | C15—C16—H16B | 111.6 |
Ag1—Ag3—Ag2 | 59.12 (3) | H16A—C16—H16B | 109.4 |
O6i—Ag4—C1 | 147.4 (3) | C16—C17—C18 | 106.2 (14) |
O6i—Ag4—O20 | 95.0 (3) | C16—C17—H17A | 110.5 |
C1—Ag4—O20 | 108.2 (3) | C18—C17—H17A | 110.5 |
O6i—Ag4—O1i | 119.4 (3) | C16—C17—H17B | 110.5 |
C1—Ag4—O1i | 85.7 (3) | C18—C17—H17B | 110.5 |
O20—Ag4—O1i | 85.9 (3) | H17A—C17—H17B | 108.7 |
O6i—Ag4—Ag1 | 99.6 (2) | C17—C18—C17ii | 114.9 (17) |
C1—Ag4—Ag1 | 50.8 (2) | C17—C18—H18A | 108.5 |
O20—Ag4—Ag1 | 153.69 (17) | C17ii—C18—H18A | 108.5 |
O1i—Ag4—Ag1 | 105.4 (2) | C17—C18—H18B | 108.5 |
O6i—Ag4—Ag2i | 75.1 (2) | C17ii—C18—H18B | 108.5 |
C1—Ag4—Ag2i | 99.6 (2) | H18A—C18—H18B | 107.5 |
O20—Ag4—Ag2i | 139.12 (16) | C17'ii—C16'—H16C | 111.4 |
O1i—Ag4—Ag2i | 66.56 (19) | C17'ii—C16'—H16D | 111.4 |
Ag1—Ag4—Ag2i | 66.44 (3) | H16C—C16'—H16D | 109.3 |
O6i—Ag4—Ag1i | 128.3 (2) | C16'ii—C17'—H17C | 110.8 |
C1—Ag4—Ag1i | 49.8 (2) | C16'ii—C17'—H17D | 110.8 |
O20—Ag4—Ag1i | 129.23 (19) | H17C—C17'—H17D | 108.9 |
O1i—Ag4—Ag1i | 52.2 (2) | O17—S1—C35 | 106.1 (8) |
Ag1—Ag4—Ag1i | 53.58 (3) | O17—S1—C36 | 107.2 (8) |
Ag2i—Ag4—Ag1i | 54.25 (2) | C35—S1—C36 | 98.2 (8) |
C12—Ag5—C5 | 142.6 (3) | S1—O17—Ag2 | 125.5 (5) |
C12—Ag5—O7 | 90.6 (4) | S1—C35—H35A | 109.5 |
C5—Ag5—O7 | 114.4 (3) | S1—C35—H35B | 109.5 |
C12—Ag5—O9 | 114.3 (4) | H35A—C35—H35B | 109.5 |
C5—Ag5—O9 | 94.6 (3) | S1—C35—H35C | 109.5 |
O7—Ag5—O9 | 88.7 (4) | H35A—C35—H35C | 109.5 |
C12—Ag5—Ag7 | 107.8 (2) | H35B—C35—H35C | 109.5 |
C5—Ag5—Ag7 | 48.3 (2) | S1—C36—H36A | 109.5 |
O7—Ag5—Ag7 | 90.5 (3) | S1—C36—H36B | 109.5 |
O9—Ag5—Ag7 | 137.9 (3) | H36A—C36—H36B | 109.5 |
C12—Ag5—Ag10 | 47.9 (2) | S1—C36—H36C | 109.5 |
C5—Ag5—Ag10 | 108.9 (2) | H36A—C36—H36C | 109.5 |
O7—Ag5—Ag10 | 136.0 (3) | H36B—C36—H36C | 109.5 |
O9—Ag5—Ag10 | 95.8 (3) | O18—S2—C37 | 104.2 (6) |
Ag7—Ag5—Ag10 | 113.12 (3) | O18—S2—C38 | 104.9 (6) |
C12—Ag5—Ag9 | 48.3 (2) | C37—S2—C38 | 97.3 (7) |
C5—Ag5—Ag9 | 96.5 (2) | S2—O18—Ag3 | 131.3 (4) |
O7—Ag5—Ag9 | 105.2 (3) | S2—O18—Ag7 | 118.9 (4) |
O9—Ag5—Ag9 | 156.6 (3) | Ag3—O18—Ag7 | 109.8 (3) |
Ag7—Ag5—Ag9 | 62.09 (2) | S2—C37—H37A | 109.5 |
Ag10—Ag5—Ag9 | 61.11 (3) | S2—C37—H37B | 109.5 |
C12—Ag5—Ag8 | 96.2 (2) | H37A—C37—H37B | 109.5 |
C5—Ag5—Ag8 | 48.2 (2) | S2—C37—H37C | 109.5 |
O7—Ag5—Ag8 | 148.8 (3) | H37A—C37—H37C | 109.5 |
O9—Ag5—Ag8 | 115.5 (3) | H37B—C37—H37C | 109.5 |
Ag7—Ag5—Ag8 | 58.43 (2) | S2—C38—H38A | 109.5 |
Ag10—Ag5—Ag8 | 64.30 (3) | S2—C38—H38B | 109.5 |
Ag9—Ag5—Ag8 | 59.97 (2) | H38A—C38—H38B | 109.5 |
C12—Ag5—Ag11 | 45.4 (2) | S2—C38—H38C | 109.5 |
C5—Ag5—Ag11 | 157.7 (2) | H38A—C38—H38C | 109.5 |
O7—Ag5—Ag11 | 81.9 (2) | H38B—C38—H38C | 109.5 |
O9—Ag5—Ag11 | 69.6 (2) | O19—S3—C40 | 105.4 (6) |
Ag7—Ag5—Ag11 | 151.61 (3) | O19—S3—C39 | 105.1 (5) |
Ag10—Ag5—Ag11 | 59.40 (3) | C40—S3—C39 | 98.0 (7) |
Ag9—Ag5—Ag11 | 93.45 (3) | S3—O19—Ag6 | 130.9 (4) |
Ag8—Ag5—Ag11 | 123.65 (3) | S3—O19—Ag3 | 123.5 (4) |
C12—Ag5—Ag6 | 153.3 (2) | Ag6—O19—Ag3 | 102.4 (3) |
C5—Ag5—Ag6 | 45.2 (2) | S3—C39—H39A | 109.5 |
O7—Ag5—Ag6 | 70.2 (3) | S3—C39—H39B | 109.5 |
O9—Ag5—Ag6 | 84.5 (3) | H39A—C39—H39B | 109.5 |
Ag7—Ag5—Ag6 | 56.02 (2) | S3—C39—H39C | 109.5 |
Ag10—Ag5—Ag6 | 153.83 (3) | H39A—C39—H39C | 109.5 |
Ag9—Ag5—Ag6 | 117.69 (3) | H39B—C39—H39C | 109.5 |
Ag8—Ag5—Ag6 | 91.88 (3) | S3—C40—H40A | 109.5 |
Ag11—Ag5—Ag6 | 142.21 (3) | S3—C40—H40B | 109.5 |
O8—Ag6—O20 | 108.6 (3) | H40A—C40—H40B | 109.5 |
O8—Ag6—C5 | 118.1 (3) | S3—C40—H40C | 109.5 |
O20—Ag6—C5 | 131.3 (3) | H40A—C40—H40C | 109.5 |
O8—Ag6—O19 | 97.4 (3) | H40B—C40—H40C | 109.5 |
O20—Ag6—O19 | 77.4 (3) | O20—S4—C42 | 104.8 (5) |
C5—Ag6—O19 | 108.2 (3) | O20—S4—C41 | 104.3 (6) |
O8—Ag6—C4 | 146.2 (3) | C42—S4—C41 | 98.6 (7) |
O20—Ag6—C4 | 102.3 (3) | S4—O20—Ag6 | 128.3 (4) |
C5—Ag6—C4 | 29.2 (3) | S4—O20—Ag4 | 121.6 (4) |
O19—Ag6—C4 | 102.4 (3) | Ag6—O20—Ag4 | 107.1 (3) |
O8—Ag6—Ag7 | 84.2 (3) | S4—C41—H41A | 109.5 |
O20—Ag6—Ag7 | 157.66 (17) | S4—C41—H41B | 109.5 |
C5—Ag6—Ag7 | 46.6 (2) | H41A—C41—H41B | 109.5 |
O19—Ag6—Ag7 | 82.9 (2) | S4—C41—H41C | 109.5 |
C4—Ag6—Ag7 | 71.6 (2) | H41A—C41—H41C | 109.5 |
O8—Ag6—Ag5 | 80.1 (2) | H41B—C41—H41C | 109.5 |
O20—Ag6—Ag5 | 144.92 (18) | S4—C42—H42A | 109.5 |
C5—Ag6—Ag5 | 43.0 (2) | S4—C42—H42B | 109.5 |
O19—Ag6—Ag5 | 136.5 (2) | H42A—C42—H42B | 109.5 |
C4—Ag6—Ag5 | 66.69 (18) | S4—C42—H42C | 109.5 |
Ag7—Ag6—Ag5 | 53.56 (2) | H42A—C42—H42C | 109.5 |
O11—Ag7—C5 | 169.1 (3) | H42B—C42—H42C | 109.5 |
O11—Ag7—O18 | 90.9 (3) | O21—S5—C43 | 106.5 (6) |
C5—Ag7—O18 | 97.8 (3) | O21—S5—C44 | 104.2 (7) |
O11—Ag7—Ag5 | 120.5 (2) | C43—S5—C44 | 97.0 (8) |
C5—Ag7—Ag5 | 51.9 (2) | S5—O21—Ag11 | 124.0 (4) |
O18—Ag7—Ag5 | 148.06 (18) | S5—O21—Ag9ii | 113.1 (4) |
O11—Ag7—Ag8 | 135.8 (2) | Ag11—O21—Ag9ii | 120.5 (3) |
C5—Ag7—Ag8 | 51.1 (2) | S5—C43—H43A | 109.5 |
O18—Ag7—Ag8 | 90.52 (19) | S5—C43—H43B | 109.5 |
Ag5—Ag7—Ag8 | 63.52 (3) | H43A—C43—H43B | 109.5 |
O11—Ag7—Ag6 | 119.2 (2) | S5—C43—H43C | 109.5 |
C5—Ag7—Ag6 | 52.8 (2) | H43A—C43—H43C | 109.5 |
O18—Ag7—Ag6 | 100.75 (17) | H43B—C43—H43C | 109.5 |
Ag5—Ag7—Ag6 | 70.42 (3) | S5—C44—H44A | 109.5 |
Ag8—Ag7—Ag6 | 103.83 (3) | S5—C44—H44B | 109.5 |
O11—Ag7—Ag9 | 81.9 (2) | H44A—C44—H44B | 109.5 |
C5—Ag7—Ag9 | 98.4 (2) | S5—C44—H44C | 109.5 |
O18—Ag7—Ag9 | 124.03 (18) | H44A—C44—H44C | 109.5 |
Ag5—Ag7—Ag9 | 61.16 (2) | H44B—C44—H44C | 109.5 |
Ag8—Ag7—Ag9 | 61.25 (2) | O22—S6—C45 | 105.0 (6) |
Ag6—Ag7—Ag9 | 131.03 (3) | O22—S6—C46 | 101.0 (7) |
C5—Ag8—O13 | 140.8 (3) | C45—S6—C46 | 97.5 (8) |
C5—Ag8—O15 | 120.5 (3) | S6—O22—Ag10 | 111.2 (4) |
O13—Ag8—O15 | 90.9 (3) | S6—O22—Ag11ii | 132.3 (4) |
C5—Ag8—Ag7 | 48.2 (2) | Ag10—O22—Ag11ii | 111.9 (3) |
O13—Ag8—Ag7 | 98.9 (2) | S6—C45—H45A | 109.5 |
O15—Ag8—Ag7 | 168.7 (2) | S6—C45—H45B | 109.5 |
C5—Ag8—Ag9 | 96.7 (2) | H45A—C45—H45B | 109.5 |
O13—Ag8—Ag9 | 79.6 (2) | S6—C45—H45C | 109.5 |
O15—Ag8—Ag9 | 126.1 (2) | H45A—C45—H45C | 109.5 |
Ag7—Ag8—Ag9 | 61.84 (2) | H45B—C45—H45C | 109.5 |
C5—Ag8—Ag5 | 48.8 (2) | S6—C46—H46A | 109.5 |
O13—Ag8—Ag5 | 138.8 (2) | S6—C46—H46B | 109.5 |
O15—Ag8—Ag5 | 116.9 (2) | H46A—C46—H46B | 109.5 |
Ag7—Ag8—Ag5 | 58.05 (2) | S6—C46—H46C | 109.5 |
Ag9—Ag8—Ag5 | 59.66 (2) | H46A—C46—H46C | 109.5 |
C5—Ag8—Ag10 | 101.3 (2) | H46B—C46—H46C | 109.5 |
O13—Ag8—Ag10 | 109.1 (2) | C19—O1—Ag4i | 122.5 (7) |
O15—Ag8—Ag10 | 76.2 (2) | C19—O2—Ag2 | 116.5 (7) |
Ag7—Ag8—Ag10 | 105.46 (3) | O1—C19—O2 | 128.6 (10) |
Ag9—Ag8—Ag10 | 58.12 (2) | O1—C19—C20 | 115.5 (9) |
Ag5—Ag8—Ag10 | 55.63 (2) | O2—C19—C20 | 115.7 (9) |
O14—Ag9—C12 | 169.2 (3) | F2—C20—F1 | 108.7 (8) |
O14—Ag9—O12 | 86.7 (3) | F2—C20—F3 | 106.0 (8) |
C12—Ag9—O12 | 103.7 (3) | F1—C20—F3 | 105.7 (8) |
O14—Ag9—O21ii | 81.2 (3) | F2—C20—C19 | 110.5 (8) |
C12—Ag9—O21ii | 95.3 (3) | F1—C20—C19 | 114.3 (8) |
O12—Ag9—O21ii | 89.9 (3) | F3—C20—C19 | 111.3 (9) |
O14—Ag9—Ag10 | 123.7 (2) | C21—O3—Ag1 | 118.7 (6) |
C12—Ag9—Ag10 | 46.0 (2) | C21—O4—Ag3 | 121.9 (6) |
O12—Ag9—Ag10 | 149.7 (2) | O3—C21—O4 | 129.9 (9) |
O21ii—Ag9—Ag10 | 93.86 (17) | O3—C21—C22 | 114.3 (8) |
O14—Ag9—Ag5 | 132.8 (2) | O4—C21—C22 | 115.8 (8) |
C12—Ag9—Ag5 | 48.4 (2) | F6—C22—F5 | 107.7 (8) |
O12—Ag9—Ag5 | 104.1 (2) | F6—C22—F4 | 107.2 (8) |
O21ii—Ag9—Ag5 | 143.04 (18) | F5—C22—F4 | 106.5 (8) |
Ag10—Ag9—Ag5 | 57.42 (2) | F6—C22—C21 | 111.3 (8) |
O14—Ag9—Ag8 | 78.3 (2) | F5—C22—C21 | 109.3 (8) |
C12—Ag9—Ag8 | 96.6 (2) | F4—C22—C21 | 114.6 (8) |
O12—Ag9—Ag8 | 132.48 (18) | C23—O5—Ag2 | 124.6 (7) |
O21ii—Ag9—Ag8 | 130.8 (2) | C23—O6—Ag4i | 128.5 (7) |
Ag10—Ag9—Ag8 | 63.14 (3) | O5—C23—O6 | 129.5 (9) |
Ag5—Ag9—Ag8 | 60.37 (2) | O5—C23—C24 | 115.2 (9) |
O14—Ag9—Ag7 | 82.6 (3) | O6—C23—C24 | 115.4 (8) |
C12—Ag9—Ag7 | 102.8 (2) | F9—C24—F8 | 107.8 (8) |
O12—Ag9—Ag7 | 76.71 (19) | F9—C24—F7 | 106.8 (8) |
O21ii—Ag9—Ag7 | 159.52 (17) | F8—C24—F7 | 106.8 (8) |
Ag10—Ag9—Ag7 | 105.57 (3) | F9—C24—C23 | 110.5 (8) |
Ag5—Ag9—Ag7 | 56.75 (2) | F8—C24—C23 | 113.4 (8) |
Ag8—Ag9—Ag7 | 56.91 (2) | F7—C24—C23 | 111.3 (8) |
C12—Ag10—O16 | 162.8 (3) | C25—O7—Ag5 | 129.3 (8) |
C12—Ag10—O22 | 106.5 (3) | C25—O8—Ag6 | 122.9 (8) |
O16—Ag10—O22 | 90.4 (3) | O7—C25—O8 | 130.1 (12) |
C12—Ag10—Ag5 | 50.9 (2) | O7—C25—C26 | 114.9 (10) |
O16—Ag10—Ag5 | 113.3 (2) | O8—C25—C26 | 115.0 (10) |
O22—Ag10—Ag5 | 154.39 (18) | F12—C26—F11 | 108.0 (9) |
C12—Ag10—Ag9 | 48.8 (2) | F12—C26—F10 | 107.4 (9) |
O16—Ag10—Ag9 | 134.7 (2) | F11—C26—F10 | 108.2 (8) |
O22—Ag10—Ag9 | 95.19 (18) | F12—C26—C25 | 111.7 (9) |
Ag5—Ag10—Ag9 | 61.47 (2) | F11—C26—C25 | 108.8 (9) |
C12—Ag10—Ag11 | 49.3 (3) | F10—C26—C25 | 112.6 (9) |
O16—Ag10—Ag11 | 122.1 (2) | C27—O9—Ag5 | 129.9 (8) |
O22—Ag10—Ag11 | 109.84 (18) | C27—O10—Ag11 | 118.9 (7) |
Ag5—Ag10—Ag11 | 66.73 (3) | O9—C27—O10 | 130.5 (11) |
Ag9—Ag10—Ag11 | 98.00 (3) | O9—C27—C28 | 114.7 (10) |
C12—Ag10—Ag8 | 95.0 (2) | O10—C27—C28 | 114.7 (9) |
O16—Ag10—Ag8 | 79.3 (2) | F13—C28—F14 | 109.7 (8) |
O22—Ag10—Ag8 | 118.74 (18) | F13—C28—F15 | 106.2 (8) |
Ag5—Ag10—Ag8 | 60.08 (2) | F14—C28—F15 | 106.4 (8) |
Ag9—Ag10—Ag8 | 58.74 (2) | F13—C28—C27 | 114.0 (8) |
Ag11—Ag10—Ag8 | 126.76 (3) | F14—C28—C27 | 110.7 (8) |
O10—Ag11—C12 | 125.2 (3) | F15—C28—C27 | 109.5 (8) |
O10—Ag11—O21 | 102.2 (3) | C29—O11—Ag7 | 125.2 (7) |
C12—Ag11—O21 | 126.2 (3) | C29—O12—Ag9 | 121.2 (7) |
O10—Ag11—C13 | 141.7 (3) | O12—C29—O11 | 130.0 (10) |
C12—Ag11—C13 | 28.8 (3) | O12—C29—C30 | 117.1 (8) |
O21—Ag11—C13 | 97.8 (3) | O11—C29—C30 | 113.0 (8) |
O10—Ag11—O22'ii | 110.8 (3) | F18—C30—F17 | 108.4 (8) |
C12—Ag11—O22'ii | 95.2 (3) | F18—C30—F16 | 107.3 (7) |
O21—Ag11—O22'ii | 89.4 (3) | F17—C30—F16 | 106.0 (7) |
C13—Ag11—O22'ii | 101.6 (3) | F18—C30—C29 | 112.1 (8) |
O10—Ag11—O22ii | 110.8 (3) | F17—C30—C29 | 112.7 (8) |
C12—Ag11—O22ii | 95.2 (3) | F16—C30—C29 | 110.0 (8) |
O21—Ag11—O22ii | 89.4 (3) | C31—O13—Ag8 | 119.9 (7) |
C13—Ag11—O22ii | 101.6 (3) | C31—O14—Ag9 | 124.7 (7) |
O10—Ag11—Ag10 | 114.7 (2) | O14—C31—O13 | 130.2 (10) |
C12—Ag11—Ag10 | 44.6 (2) | O14—C31—C32 | 114.1 (9) |
O21—Ag11—Ag10 | 136.36 (19) | O13—C31—C32 | 115.7 (9) |
C13—Ag11—Ag10 | 67.1 (2) | F21—C32—F19 | 108.0 (8) |
O22'ii—Ag11—Ag10 | 56.89 (18) | F21—C32—F20 | 108.0 (8) |
O22ii—Ag11—Ag10 | 56.89 (18) | F19—C32—F20 | 107.9 (8) |
O10—Ag11—Ag5 | 82.0 (2) | F21—C32—C31 | 112.3 (9) |
C12—Ag11—Ag5 | 43.6 (2) | F19—C32—C31 | 112.3 (8) |
O21—Ag11—Ag5 | 159.7 (2) | F20—C32—C31 | 108.3 (8) |
C13—Ag11—Ag5 | 68.8 (2) | C33—O15—Ag8 | 124.4 (7) |
O22'ii—Ag11—Ag5 | 107.75 (18) | C33—O16—Ag10 | 126.2 (7) |
O22ii—Ag11—Ag5 | 107.75 (18) | O15—C33—O16 | 130.1 (9) |
Ag10—Ag11—Ag5 | 53.87 (2) | O15—C33—C34 | 117.6 (8) |
C2—C1—Ag1 | 172.1 (7) | O16—C33—C34 | 112.3 (8) |
C2—C1—Ag4 | 103.9 (7) | F22—C34—F23 | 108.6 (7) |
Ag1—C1—Ag4 | 77.4 (3) | F22—C34—F24 | 108.3 (7) |
C2—C1—Ag2 | 98.4 (7) | F23—C34—F24 | 106.9 (7) |
Ag1—C1—Ag2 | 79.9 (3) | F22—C34—C33 | 112.4 (7) |
Ag4—C1—Ag2 | 157.3 (4) | F23—C34—C33 | 112.1 (7) |
C2—C1—Ag3 | 93.1 (6) | F24—C34—C33 | 108.3 (7) |
| | | |
Ag4—C1—C2—Ag3 | −94.4 (4) | O2—C19—C20—F3 | −128.3 (11) |
Ag2—C1—C2—Ag3 | 81.5 (3) | Ag1—O3—C21—O4 | −8.0 (15) |
Ag1i—C1—C2—Ag3 | 174.4 (7) | Ag1—O3—C21—C22 | 170.8 (6) |
Ag3—C2—C3—C6 | −165.8 (8) | Ag3—O4—C21—O3 | −23.5 (16) |
Ag3—C2—C3—C4 | 12.6 (10) | Ag3—O4—C21—C22 | 157.8 (6) |
C6—C3—C4—Ag6 | −116.9 (9) | O3—C21—C22—F6 | 155.6 (10) |
C2—C3—C4—Ag6 | 64.6 (9) | O4—C21—C22—F6 | −25.5 (13) |
Ag6—C4—C5—Ag7 | −62.8 (9) | O3—C21—C22—F5 | −85.6 (11) |
Ag6—C4—C5—Ag8 | −169.6 (6) | O4—C21—C22—F5 | 93.3 (11) |
Ag6—C4—C5—Ag5 | 81.8 (9) | O3—C21—C22—F4 | 33.8 (13) |
C2—C3—C6—C7 | −178.4 (9) | O4—C21—C22—F4 | −147.3 (10) |
C4—C3—C6—C7 | 3.3 (15) | Ag2—O5—C23—O6 | −4.2 (17) |
C2—C3—C6—C11 | 2.4 (16) | Ag2—O5—C23—C24 | 175.3 (6) |
C4—C3—C6—C11 | −175.9 (9) | Ag4i—O6—C23—O5 | −19.8 (17) |
C3—C6—C7—C8 | −122.7 (11) | Ag4i—O6—C23—C24 | 160.6 (6) |
C11—C6—C7—C8 | 56.6 (12) | O5—C23—C24—F9 | −117.3 (11) |
C6—C7—C8—C9 | −56.2 (12) | O6—C23—C24—F9 | 62.3 (12) |
C7—C8—C9—C10 | 55.7 (14) | O5—C23—C24—F8 | 3.8 (13) |
C8—C9—C10—C11 | −54.3 (14) | O6—C23—C24—F8 | −176.5 (10) |
C3—C6—C11—C10 | 124.2 (11) | O5—C23—C24—F7 | 124.3 (10) |
C7—C6—C11—C10 | −55.1 (13) | O6—C23—C24—F7 | −56.1 (12) |
C9—C10—C11—C6 | 53.3 (13) | Ag5—O7—C25—O8 | 30 (2) |
Ag10—C12—C13—C14 | 21 (6) | Ag5—O7—C25—C26 | −148.5 (9) |
Ag9—C12—C13—C14 | −77 (6) | Ag6—O8—C25—O7 | −2 (2) |
Ag5—C12—C13—C14 | −177 (5) | Ag6—O8—C25—C26 | 176.3 (7) |
Ag11—C12—C13—C14 | 100 (6) | O7—C25—C26—F12 | −151.5 (12) |
Ag10—C12—C13—Ag11 | −78.8 (9) | O8—C25—C26—F12 | 29.7 (15) |
Ag9—C12—C13—Ag11 | −176.8 (5) | O7—C25—C26—F11 | 89.4 (13) |
Ag5—C12—C13—Ag11 | 83.0 (12) | O8—C25—C26—F11 | −89.4 (12) |
C12—C13—C14—C15 | 151 (5) | O7—C25—C26—F10 | −30.5 (14) |
Ag11—C13—C14—C15 | −113.1 (4) | O8—C25—C26—F10 | 150.7 (11) |
C12—C13—C14—C13ii | −29 (5) | Ag5—O9—C27—O10 | −22 (2) |
Ag11—C13—C14—C13ii | 66.9 (4) | Ag5—O9—C27—C28 | 154.1 (9) |
C13—C14—C15—C16ii | −161.9 (11) | Ag11—O10—C27—O9 | −10.4 (19) |
C13ii—C14—C15—C16ii | 18.1 (11) | Ag11—O10—C27—C28 | 173.4 (6) |
C13—C14—C15—C16 | 18.1 (11) | O9—C27—C28—F13 | 171.5 (11) |
C13ii—C14—C15—C16 | −161.9 (11) | O10—C27—C28—F13 | −11.7 (14) |
C14—C15—C16—C17 | −145.4 (9) | O9—C27—C28—F14 | 47.3 (14) |
C16ii—C15—C16—C17 | 34.6 (9) | O10—C27—C28—F14 | −135.9 (11) |
C15—C16—C17—C18 | −67.3 (17) | O9—C27—C28—F15 | −69.7 (13) |
C16—C17—C18—C17ii | 36.6 (9) | O10—C27—C28—F15 | 107.1 (11) |
C35—S1—O17—Ag2 | 35.2 (10) | Ag9—O12—C29—O11 | 11.4 (17) |
C36—S1—O17—Ag2 | −69.0 (9) | Ag9—O12—C29—C30 | −168.5 (6) |
C37—S2—O18—Ag3 | 84.9 (8) | Ag7—O11—C29—O12 | 11.5 (17) |
C38—S2—O18—Ag3 | −16.8 (9) | Ag7—O11—C29—C30 | −168.6 (6) |
C37—S2—O18—Ag7 | −96.8 (7) | O12—C29—C30—F18 | −6.2 (13) |
C38—S2—O18—Ag7 | 161.5 (6) | O11—C29—C30—F18 | 173.8 (9) |
C40—S3—O19—Ag6 | 66.6 (9) | O12—C29—C30—F17 | −128.9 (10) |
C39—S3—O19—Ag6 | −36.4 (8) | O11—C29—C30—F17 | 51.2 (11) |
C40—S3—O19—Ag3 | −89.7 (8) | O12—C29—C30—F16 | 113.1 (10) |
C39—S3—O19—Ag3 | 167.3 (6) | O11—C29—C30—F16 | −66.9 (11) |
C42—S4—O20—Ag6 | 42.4 (8) | Ag9—O14—C31—O13 | 10.8 (18) |
C41—S4—O20—Ag6 | −60.7 (7) | Ag9—O14—C31—C32 | −166.8 (6) |
C42—S4—O20—Ag4 | −160.0 (6) | Ag8—O13—C31—O14 | 16.2 (17) |
C41—S4—O20—Ag4 | 96.9 (6) | Ag8—O13—C31—C32 | −166.3 (6) |
C43—S5—O21—Ag11 | 68.5 (8) | O14—C31—C32—F21 | −20.2 (13) |
C44—S5—O21—Ag11 | −33.4 (10) | O13—C31—C32—F21 | 161.9 (10) |
C43—S5—O21—Ag9ii | −129.1 (6) | O14—C31—C32—F19 | −142.1 (10) |
C44—S5—O21—Ag9ii | 129.1 (8) | O13—C31—C32—F19 | 40.0 (13) |
C45—S6—O22—Ag10 | −178.6 (6) | O14—C31—C32—F20 | 98.9 (11) |
C46—S6—O22—Ag10 | 80.4 (7) | O13—C31—C32—F20 | −79.0 (11) |
C45—S6—O22—Ag11ii | 28.0 (9) | Ag8—O15—C33—O16 | −11.9 (17) |
C46—S6—O22—Ag11ii | −72.9 (8) | Ag8—O15—C33—C34 | 170.8 (6) |
Ag4i—O1—C19—O2 | −40.0 (16) | Ag10—O16—C33—O15 | −8.7 (17) |
Ag4i—O1—C19—C20 | 144.9 (7) | Ag10—O16—C33—C34 | 168.7 (6) |
Ag2—O2—C19—O1 | −6.9 (16) | O15—C33—C34—F22 | −145.2 (9) |
Ag2—O2—C19—C20 | 168.1 (6) | O16—C33—C34—F22 | 37.1 (11) |
O1—C19—C20—F2 | −70.1 (13) | O15—C33—C34—F23 | −22.5 (12) |
O2—C19—C20—F2 | 114.2 (11) | O16—C33—C34—F23 | 159.8 (8) |
O1—C19—C20—F1 | 167.0 (11) | O15—C33—C34—F24 | 95.1 (10) |
O2—C19—C20—F1 | −8.7 (14) | O16—C33—C34—F24 | −82.6 (10) |
O1—C19—C20—F3 | 47.4 (13) | | |
Symmetry codes: (i) −x+3/2, −y+3/2, −z+1; (ii) −x+1, y, −z+1/2. |
Crystal data top
7(Ag+)·(C12H122−)·5(C2F3O2−)·5(C2H6SO) | Z = 4 |
Mr = 1867.04 | F(000) = 3592 |
Monoclinic, Cc | Dx = 2.329 Mg m−3 |
a = 17.8567 (17) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 21.007 (2) Å | µ = 2.83 mm−1 |
c = 16.044 (3) Å | T = 173 K |
β = 117.802 (1)° | Block, yellow |
V = 5323.6 (12) Å3 | 0.50 × 0.40 × 0.40 mm |
Data collection top
Bruker APEX-II CCD diffractometer | 5135 reflections with I > 2σ(I) |
φ and ω scan | Rint = 0.102 |
Absorption correction: multi-scan SADABS (Bruker, 2003) | θmax = 25.3°, θmin = 2.4° |
Tmin = 0.332, Tmax = 0.398 | h = −20→21 |
19165 measured reflections | k = −25→25 |
6449 independent reflections | l = −19→19 |
Refinement top
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.066 | w = 1/[σ2(Fo2) + (0.0867P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.165 | (Δ/σ)max < 0.001 |
S = 1.05 | Δρmax = 1.67 e Å−3 |
6449 reflections | Δρmin = −1.38 e Å−3 |
668 parameters | Absolute structure: Refined as an inversion twin. |
184 restraints | Absolute structure parameter: 0.48 (12) |
Crystal data top
7(Ag+)·(C12H122−)·5(C2F3O2−)·5(C2H6SO) | V = 5323.6 (12) Å3 |
Mr = 1867.04 | Z = 4 |
Monoclinic, Cc | Mo Kα radiation |
a = 17.8567 (17) Å | µ = 2.83 mm−1 |
b = 21.007 (2) Å | T = 173 K |
c = 16.044 (3) Å | 0.50 × 0.40 × 0.40 mm |
β = 117.802 (1)° | |
Data collection top
Bruker APEX-II CCD diffractometer | 6449 independent reflections |
Absorption correction: multi-scan SADABS (Bruker, 2003) | 5135 reflections with I > 2σ(I) |
Tmin = 0.332, Tmax = 0.398 | Rint = 0.102 |
19165 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.066 | H-atom parameters constrained |
wR(F2) = 0.165 | Δρmax = 1.67 e Å−3 |
S = 1.05 | Δρmin = −1.38 e Å−3 |
6449 reflections | Absolute structure: Refined as an inversion twin. |
668 parameters | Absolute structure parameter: 0.48 (12) |
184 restraints | |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag1 | 0.05523 (11) | 0.21197 (9) | 0.41366 (11) | 0.0285 (4) | |
Ag2 | 0.11214 (12) | 0.33360 (9) | 0.38233 (13) | 0.0367 (5) | |
Ag3 | 0.04057 (10) | 0.24222 (8) | 0.22717 (11) | 0.0228 (4) | |
Ag4 | 0.14247 (13) | 0.12186 (9) | 0.34269 (15) | 0.0404 (5) | |
Ag5 | 0.40369 (11) | 0.32840 (8) | 0.72935 (12) | 0.0299 (4) | |
Ag6 | 0.42058 (11) | 0.19386 (9) | 0.76250 (12) | 0.0301 (4) | |
Ag7 | 0.25700 (11) | 0.23919 (10) | 0.61825 (13) | 0.0386 (5) | |
C1 | 0.1493 (14) | 0.2320 (11) | 0.3680 (15) | 0.029 (5) | |
C2 | 0.2257 (15) | 0.2297 (12) | 0.4068 (15) | 0.031 (5) | |
C3 | 0.3177 (14) | 0.2338 (14) | 0.4484 (14) | 0.037 (6) | |
C4 | 0.3576 (14) | 0.2431 (12) | 0.5497 (16) | 0.033 (6) | |
C5 | 0.3974 (13) | 0.2495 (12) | 0.6349 (15) | 0.032 (6) | |
C6 | 0.3601 (19) | 0.2232 (16) | 0.400 (2) | 0.060 (9) | 0.6667 |
C7 | 0.460 (2) | 0.220 (2) | 0.451 (3) | 0.053 (4)* | 0.6667 |
H7A | 0.4833 | 0.2536 | 0.4997 | 0.064* | 0.6667 |
H7B | 0.4784 | 0.1781 | 0.4842 | 0.064* | 0.6667 |
C8 | 0.496 (2) | 0.227 (2) | 0.386 (3) | 0.053 (4)* | 0.6667 |
H8A | 0.4831 | 0.1879 | 0.3469 | 0.064* | 0.6667 |
H8B | 0.5588 | 0.2293 | 0.4237 | 0.064* | 0.6667 |
C9 | 0.466 (3) | 0.283 (2) | 0.322 (3) | 0.053 (4)* | 0.6667 |
H9A | 0.4643 | 0.3201 | 0.3599 | 0.064* | 0.6667 |
H9B | 0.5098 | 0.2933 | 0.3022 | 0.064* | 0.6667 |
C10 | 0.384 (3) | 0.279 (2) | 0.238 (3) | 0.053 (4)* | 0.6667 |
H10A | 0.3923 | 0.2493 | 0.1949 | 0.064* | 0.6667 |
H10B | 0.3744 | 0.3217 | 0.2072 | 0.064* | 0.6667 |
C11 | 0.305 (3) | 0.261 (2) | 0.237 (3) | 0.053 (4)* | 0.6667 |
H11A | 0.2848 | 0.2967 | 0.2622 | 0.064* | 0.6667 |
H11B | 0.2610 | 0.2534 | 0.1711 | 0.064* | 0.6667 |
C12 | 0.314 (3) | 0.204 (2) | 0.293 (2) | 0.053 (4)* | 0.6667 |
H12A | 0.3476 | 0.1712 | 0.2805 | 0.064* | 0.6667 |
H12B | 0.2577 | 0.1853 | 0.2769 | 0.064* | 0.6667 |
C6' | 0.3601 (19) | 0.2232 (16) | 0.400 (2) | 0.060 (9) | 0.3333 |
C7' | 0.454 (3) | 0.249 (3) | 0.441 (4) | 0.053 (4)* | 0.3333 |
H7'1 | 0.4538 | 0.2915 | 0.4141 | 0.064* | 0.3333 |
H7'2 | 0.4789 | 0.2538 | 0.5103 | 0.064* | 0.3333 |
C8' | 0.508 (3) | 0.206 (4) | 0.420 (4) | 0.053 (4)* | 0.3333 |
H8'1 | 0.4946 | 0.1614 | 0.4288 | 0.064* | 0.3333 |
H8'2 | 0.5679 | 0.2138 | 0.4652 | 0.064* | 0.3333 |
C9' | 0.498 (4) | 0.212 (4) | 0.322 (4) | 0.053 (4)* | 0.3333 |
H9'1 | 0.5355 | 0.2468 | 0.3223 | 0.064* | 0.3333 |
H9'2 | 0.5192 | 0.1721 | 0.3071 | 0.064* | 0.3333 |
C10' | 0.413 (4) | 0.224 (4) | 0.244 (4) | 0.053 (4)* | 0.3333 |
H10C | 0.3857 | 0.1821 | 0.2242 | 0.064* | 0.3333 |
H10D | 0.4217 | 0.2405 | 0.1913 | 0.064* | 0.3333 |
C11' | 0.350 (5) | 0.266 (3) | 0.251 (4) | 0.053 (4)* | 0.3333 |
H11C | 0.3799 | 0.3037 | 0.2901 | 0.064* | 0.3333 |
H11D | 0.3108 | 0.2819 | 0.1871 | 0.064* | 0.3333 |
C12' | 0.302 (3) | 0.234 (4) | 0.292 (3) | 0.053 (4)* | 0.3333 |
H12C | 0.2804 | 0.1932 | 0.2597 | 0.064* | 0.3333 |
H12D | 0.2530 | 0.2611 | 0.2822 | 0.064* | 0.3333 |
S1 | 0.1405 (4) | 0.1037 (3) | 0.6040 (5) | 0.0442 (16) | |
O11 | 0.1697 (11) | 0.1449 (9) | 0.5468 (13) | 0.045 (4) | |
C23 | 0.0815 (19) | 0.0433 (14) | 0.5270 (18) | 0.060 (9) | |
H23A | 0.0233 | 0.0580 | 0.4878 | 0.091* | |
H23B | 0.0809 | 0.0059 | 0.5632 | 0.091* | |
H23C | 0.1069 | 0.0319 | 0.4865 | 0.091* | |
C24 | 0.2318 (17) | 0.0575 (15) | 0.674 (2) | 0.058 (8) | |
H24A | 0.2565 | 0.0418 | 0.6349 | 0.086* | |
H24B | 0.2159 | 0.0214 | 0.7012 | 0.086* | |
H24C | 0.2734 | 0.0840 | 0.7250 | 0.086* | |
S2 | 0.3256 (7) | 0.0485 (5) | 0.4307 (7) | 0.048 (3) | 0.6667 |
O12 | 0.2326 (14) | 0.0380 (10) | 0.4092 (17) | 0.108 (12) | 0.6667 |
C25 | 0.370 (2) | −0.0299 (15) | 0.448 (3) | 0.110 (18) | 0.6667 |
H25A | 0.3714 | −0.0488 | 0.5048 | 0.165* | 0.6667 |
H25B | 0.4282 | −0.0272 | 0.4566 | 0.165* | 0.6667 |
H25C | 0.3359 | −0.0564 | 0.3934 | 0.165* | 0.6667 |
C26 | 0.372 (3) | 0.0777 (19) | 0.542 (3) | 0.100 (15) | 0.6667 |
H26A | 0.3312 | 0.1025 | 0.5528 | 0.149* | 0.6667 |
H26B | 0.4200 | 0.1052 | 0.5510 | 0.149* | 0.6667 |
H26C | 0.3934 | 0.0424 | 0.5872 | 0.149* | 0.6667 |
S2' | 0.3112 (13) | 0.0132 (10) | 0.4949 (14) | 0.060 (6) | 0.3333 |
O12' | 0.2326 (14) | 0.0380 (10) | 0.4092 (17) | 0.108 (12) | 0.3333 |
C25' | 0.370 (2) | −0.0299 (15) | 0.448 (3) | 0.110 (18) | 0.3333 |
H25D | 0.3406 | −0.0278 | 0.3794 | 0.165* | 0.3333 |
H25E | 0.3760 | −0.0744 | 0.4686 | 0.165* | 0.3333 |
H25F | 0.4267 | −0.0108 | 0.4718 | 0.165* | 0.3333 |
C26' | 0.372 (3) | 0.0777 (19) | 0.542 (3) | 0.100 (15) | 0.3333 |
H26D | 0.4154 | 0.0802 | 0.5204 | 0.149* | 0.3333 |
H26E | 0.4005 | 0.0744 | 0.6111 | 0.149* | 0.3333 |
H26F | 0.3373 | 0.1161 | 0.5226 | 0.149* | 0.3333 |
S3 | 0.2714 (4) | 0.4024 (3) | 0.5144 (4) | 0.0405 (15) | |
O13 | 0.3128 (10) | 0.4037 (8) | 0.6203 (11) | 0.035 (4) | |
C27 | 0.2331 (19) | 0.4778 (11) | 0.477 (2) | 0.063 (9) | |
H27A | 0.1902 | 0.4881 | 0.4966 | 0.094* | |
H27B | 0.2077 | 0.4798 | 0.4081 | 0.094* | |
H27C | 0.2796 | 0.5085 | 0.5047 | 0.094* | |
C28 | 0.358 (3) | 0.4030 (17) | 0.487 (3) | 0.073 (10) | |
H28A | 0.3746 | 0.4471 | 0.4833 | 0.110* | |
H28B | 0.3412 | 0.3818 | 0.4263 | 0.110* | |
H28C | 0.4067 | 0.3804 | 0.5364 | 0.110* | |
S4 | 0.4745 (4) | 0.4813 (3) | 0.7282 (4) | 0.0389 (14) | |
O14 | 0.5033 (9) | 0.4228 (8) | 0.7893 (11) | 0.035 (4) | |
C29 | 0.5619 (17) | 0.5350 (14) | 0.778 (2) | 0.053 (7) | |
H29A | 0.5843 | 0.5363 | 0.8466 | 0.080* | |
H29B | 0.5431 | 0.5777 | 0.7519 | 0.080* | |
H29C | 0.6063 | 0.5205 | 0.7628 | 0.080* | |
C30 | 0.411 (2) | 0.5198 (14) | 0.766 (3) | 0.062 (8) | |
H30A | 0.3588 | 0.4951 | 0.7473 | 0.092* | |
H30B | 0.3962 | 0.5621 | 0.7370 | 0.092* | |
H30C | 0.4408 | 0.5240 | 0.8346 | 0.092* | |
S5 | 0.0839 (6) | 0.3477 (5) | 0.5827 (7) | 0.044 (2) | 0.6667 |
O15 | 0.1280 (12) | 0.2986 (9) | 0.5517 (11) | 0.049 (5) | 0.6667 |
C31 | 0.168 (3) | 0.385 (2) | 0.688 (3) | 0.061 (15)* | 0.6667 |
H31A | 0.2063 | 0.3521 | 0.7292 | 0.091* | 0.6667 |
H31B | 0.1430 | 0.4082 | 0.7219 | 0.091* | 0.6667 |
H31C | 0.2000 | 0.4147 | 0.6694 | 0.091* | 0.6667 |
C32 | 0.033 (3) | 0.294 (2) | 0.631 (3) | 0.061 (12)* | 0.6667 |
H32A | −0.0054 | 0.2651 | 0.5816 | 0.092* | 0.6667 |
H32B | 0.0017 | 0.3186 | 0.6560 | 0.092* | 0.6667 |
H32C | 0.0769 | 0.2685 | 0.6823 | 0.092* | 0.6667 |
S5' | 0.0961 (11) | 0.3024 (9) | 0.6267 (12) | 0.033 (4) | 0.3333 |
O15' | 0.1280 (12) | 0.2986 (9) | 0.5517 (11) | 0.049 (5) | 0.3333 |
C31' | 0.164 (3) | 0.365 (3) | 0.706 (4) | 0.027 (17)* | 0.3333 |
H31D | 0.2204 | 0.3622 | 0.7096 | 0.040* | 0.3333 |
H31E | 0.1695 | 0.3582 | 0.7692 | 0.040* | 0.3333 |
H31F | 0.1393 | 0.4064 | 0.6823 | 0.040* | 0.3333 |
C32' | −0.002 (3) | 0.347 (3) | 0.557 (4) | 0.024 (14)* | 0.3333 |
H32D | 0.0031 | 0.3719 | 0.5085 | 0.037* | 0.3333 |
H32E | −0.0133 | 0.3755 | 0.5983 | 0.037* | 0.3333 |
H32F | −0.0497 | 0.3169 | 0.5265 | 0.037* | 0.3333 |
O1 | 0.1682 (14) | 0.3887 (11) | 0.2927 (12) | 0.070 (7) | |
O2 | 0.0739 (13) | 0.3357 (10) | 0.1674 (12) | 0.059 (6) | |
C13 | 0.1275 (14) | 0.3779 (11) | 0.2075 (16) | 0.032 (5) | |
C14 | 0.1460 (12) | 0.4217 (10) | 0.1450 (13) | 0.055 (8) | |
F1 | 0.168 (2) | 0.3874 (12) | 0.094 (2) | 0.175 (14) | |
F2 | 0.2057 (15) | 0.4624 (13) | 0.1887 (17) | 0.149 (11) | |
F3 | 0.0804 (13) | 0.4543 (13) | 0.0890 (17) | 0.138 (11) | |
O3 | 0.0449 (12) | 0.4248 (9) | 0.3854 (14) | 0.058 (5) | |
O4 | −0.0666 (12) | 0.4133 (8) | 0.2481 (14) | 0.063 (6) | |
C15 | −0.0124 (16) | 0.4448 (13) | 0.3141 (18) | 0.041 (6) | |
C16 | −0.0154 (10) | 0.5179 (9) | 0.2985 (12) | 0.052 (7) | |
F4 | 0.0272 (12) | 0.5489 (9) | 0.3757 (12) | 0.109 (8) | |
F5 | −0.0922 (10) | 0.5377 (9) | 0.2602 (14) | 0.090 (6) | |
F6 | 0.0159 (14) | 0.5314 (11) | 0.2429 (16) | 0.115 (9) | |
O5 | 0.0744 (14) | 0.1829 (11) | 0.1306 (12) | 0.060 (6) | |
O6 | 0.1345 (17) | 0.0909 (9) | 0.1980 (15) | 0.068 (7) | |
C17 | 0.1162 (17) | 0.1374 (14) | 0.1374 (17) | 0.040 (6) | |
C18 | 0.1431 (10) | 0.1278 (7) | 0.0598 (12) | 0.046 (7) | |
F7 | 0.2067 (10) | 0.0910 (8) | 0.0838 (13) | 0.082 (6) | |
F8 | 0.0799 (10) | 0.1051 (7) | −0.0134 (11) | 0.073 (5) | |
F9 | 0.1611 (11) | 0.1827 (6) | 0.0373 (14) | 0.074 (5) | |
O7 | 0.3642 (11) | 0.3586 (9) | 0.8370 (12) | 0.042 (4) | |
O8 | 0.4700 (11) | 0.3179 (9) | 0.9668 (12) | 0.041 (4) | |
C19 | 0.4033 (16) | 0.3439 (11) | 0.9230 (18) | 0.033 (6) | |
C20 | 0.3588 (11) | 0.3657 (9) | 0.9832 (12) | 0.051 (8) | |
F10 | 0.2800 (9) | 0.3798 (9) | 0.9324 (12) | 0.082 (6) | |
F11 | 0.3631 (16) | 0.3225 (11) | 1.0419 (16) | 0.132 (10) | |
F12 | 0.3974 (12) | 0.4152 (11) | 1.0302 (15) | 0.119 (9) | |
O9 | 0.3629 (15) | 0.1800 (11) | 0.8611 (15) | 0.065 (6) | |
O10 | 0.2374 (12) | 0.2199 (12) | 0.7479 (13) | 0.061 (6) | |
C21 | 0.2898 (19) | 0.2016 (14) | 0.833 (2) | 0.048 (7) | |
C22 | 0.2478 (11) | 0.1923 (8) | 0.8957 (12) | 0.051 (7) | |
F13 | 0.2009 (12) | 0.2400 (8) | 0.8908 (13) | 0.080 (6) | |
F14 | 0.3049 (10) | 0.1852 (10) | 0.9817 (12) | 0.097 (7) | |
F15 | 0.2010 (12) | 0.1418 (8) | 0.8727 (14) | 0.090 (6) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0239 (8) | 0.0374 (10) | 0.0222 (7) | −0.0042 (7) | 0.0091 (7) | 0.0028 (7) |
Ag2 | 0.0384 (10) | 0.0279 (9) | 0.0333 (9) | −0.0004 (8) | 0.0080 (8) | −0.0014 (8) |
Ag3 | 0.0174 (7) | 0.0303 (9) | 0.0177 (7) | 0.0011 (7) | 0.0056 (6) | 0.0007 (7) |
Ag4 | 0.0410 (11) | 0.0316 (10) | 0.0515 (11) | −0.0018 (9) | 0.0240 (9) | 0.0001 (9) |
Ag5 | 0.0268 (8) | 0.0346 (10) | 0.0242 (8) | 0.0058 (7) | 0.0083 (7) | −0.0007 (7) |
Ag6 | 0.0285 (9) | 0.0320 (10) | 0.0308 (8) | 0.0000 (8) | 0.0146 (7) | 0.0074 (7) |
Ag7 | 0.0203 (9) | 0.0668 (14) | 0.0263 (8) | −0.0059 (9) | 0.0088 (7) | 0.0002 (9) |
C1 | 0.033 (9) | 0.031 (10) | 0.028 (9) | 0.010 (8) | 0.018 (8) | 0.011 (7) |
C2 | 0.029 (9) | 0.047 (10) | 0.020 (8) | −0.005 (8) | 0.015 (7) | −0.003 (8) |
C3 | 0.016 (11) | 0.074 (19) | 0.016 (10) | −0.002 (11) | 0.002 (9) | −0.009 (11) |
C4 | 0.019 (11) | 0.058 (17) | 0.027 (12) | 0.005 (11) | 0.015 (10) | 0.006 (11) |
C5 | 0.013 (10) | 0.065 (17) | 0.014 (9) | −0.012 (10) | 0.002 (8) | 0.002 (10) |
C6 | 0.046 (17) | 0.09 (3) | 0.039 (15) | −0.015 (17) | 0.017 (13) | −0.011 (16) |
C6' | 0.046 (17) | 0.09 (3) | 0.039 (15) | −0.015 (17) | 0.017 (13) | −0.011 (16) |
S1 | 0.044 (4) | 0.044 (4) | 0.037 (3) | −0.003 (3) | 0.013 (3) | 0.005 (3) |
O11 | 0.039 (10) | 0.045 (11) | 0.041 (10) | −0.009 (8) | 0.009 (8) | 0.015 (9) |
C23 | 0.063 (19) | 0.043 (17) | 0.032 (13) | −0.013 (14) | −0.013 (13) | 0.009 (12) |
C24 | 0.030 (14) | 0.050 (19) | 0.07 (2) | 0.004 (12) | 0.007 (13) | 0.014 (15) |
S2 | 0.058 (6) | 0.041 (6) | 0.032 (5) | 0.006 (5) | 0.010 (4) | 0.000 (4) |
O12 | 0.063 (15) | 0.047 (14) | 0.13 (2) | 0.034 (12) | −0.022 (15) | −0.020 (15) |
C25 | 0.07 (2) | 0.05 (2) | 0.17 (4) | 0.015 (19) | 0.02 (3) | −0.05 (3) |
C26 | 0.17 (4) | 0.08 (3) | 0.09 (3) | 0.02 (3) | 0.09 (3) | 0.01 (2) |
S2' | 0.072 (16) | 0.057 (15) | 0.046 (12) | 0.001 (12) | 0.021 (11) | 0.000 (11) |
O12' | 0.063 (15) | 0.047 (14) | 0.13 (2) | 0.034 (12) | −0.022 (15) | −0.020 (15) |
C25' | 0.07 (2) | 0.05 (2) | 0.17 (4) | 0.015 (19) | 0.02 (3) | −0.05 (3) |
C26' | 0.17 (4) | 0.08 (3) | 0.09 (3) | 0.02 (3) | 0.09 (3) | 0.01 (2) |
S3 | 0.042 (3) | 0.029 (3) | 0.034 (3) | −0.003 (3) | 0.003 (3) | 0.003 (3) |
O13 | 0.037 (9) | 0.036 (10) | 0.033 (8) | 0.016 (8) | 0.016 (7) | 0.013 (7) |
C27 | 0.054 (17) | 0.013 (12) | 0.08 (2) | −0.001 (12) | −0.006 (15) | 0.006 (13) |
C28 | 0.11 (3) | 0.06 (2) | 0.07 (2) | −0.01 (2) | 0.05 (2) | −0.009 (17) |
S4 | 0.040 (3) | 0.034 (3) | 0.037 (3) | 0.001 (3) | 0.013 (3) | 0.000 (3) |
O14 | 0.025 (8) | 0.042 (10) | 0.039 (9) | −0.012 (7) | 0.017 (7) | −0.007 (8) |
C29 | 0.040 (15) | 0.040 (16) | 0.068 (19) | −0.001 (13) | 0.014 (14) | −0.001 (14) |
C30 | 0.059 (19) | 0.034 (16) | 0.08 (2) | 0.011 (14) | 0.026 (17) | 0.000 (15) |
S5 | 0.040 (5) | 0.057 (7) | 0.039 (5) | 0.016 (5) | 0.022 (4) | 0.006 (5) |
O15 | 0.047 (11) | 0.070 (13) | 0.025 (8) | 0.008 (10) | 0.013 (8) | −0.003 (8) |
S5' | 0.034 (10) | 0.041 (12) | 0.033 (9) | 0.008 (8) | 0.022 (8) | 0.001 (8) |
O15' | 0.047 (11) | 0.070 (13) | 0.025 (8) | 0.008 (10) | 0.013 (8) | −0.003 (8) |
O1 | 0.080 (15) | 0.070 (15) | 0.026 (9) | −0.033 (12) | −0.004 (10) | 0.006 (9) |
O2 | 0.058 (12) | 0.077 (15) | 0.026 (9) | −0.023 (11) | 0.007 (9) | 0.020 (9) |
C13 | 0.028 (12) | 0.027 (13) | 0.034 (13) | −0.006 (10) | 0.008 (10) | −0.002 (10) |
C14 | 0.051 (17) | 0.08 (2) | 0.019 (11) | −0.017 (16) | 0.006 (12) | −0.005 (13) |
F1 | 0.22 (2) | 0.17 (2) | 0.19 (2) | −0.015 (18) | 0.145 (19) | 0.043 (18) |
F2 | 0.151 (19) | 0.143 (18) | 0.131 (18) | −0.087 (15) | 0.048 (14) | 0.021 (15) |
F3 | 0.128 (17) | 0.151 (19) | 0.114 (16) | −0.010 (15) | 0.041 (14) | 0.081 (15) |
O3 | 0.044 (11) | 0.047 (12) | 0.057 (12) | 0.004 (9) | 0.001 (10) | 0.000 (10) |
O4 | 0.041 (11) | 0.031 (10) | 0.066 (13) | −0.004 (9) | −0.017 (10) | 0.014 (10) |
C15 | 0.039 (14) | 0.046 (17) | 0.037 (13) | −0.006 (13) | 0.018 (12) | 0.007 (12) |
C16 | 0.052 (17) | 0.032 (16) | 0.055 (17) | −0.005 (13) | 0.010 (14) | −0.005 (14) |
F4 | 0.128 (15) | 0.036 (10) | 0.092 (13) | 0.000 (10) | −0.010 (11) | −0.002 (10) |
F5 | 0.074 (12) | 0.056 (11) | 0.109 (14) | 0.014 (9) | 0.018 (11) | −0.013 (10) |
F6 | 0.137 (17) | 0.081 (14) | 0.163 (19) | −0.012 (12) | 0.099 (15) | 0.031 (13) |
O5 | 0.076 (14) | 0.078 (15) | 0.031 (9) | 0.047 (12) | 0.029 (10) | 0.007 (9) |
O6 | 0.14 (2) | 0.020 (10) | 0.058 (12) | 0.003 (11) | 0.052 (14) | −0.001 (9) |
C17 | 0.041 (10) | 0.054 (11) | 0.036 (9) | −0.013 (9) | 0.026 (8) | −0.005 (8) |
C18 | 0.057 (11) | 0.046 (11) | 0.052 (11) | 0.006 (9) | 0.039 (9) | 0.001 (9) |
F7 | 0.096 (13) | 0.077 (12) | 0.082 (12) | 0.029 (10) | 0.048 (11) | 0.017 (10) |
F8 | 0.123 (14) | 0.050 (10) | 0.061 (10) | 0.004 (10) | 0.055 (10) | −0.002 (8) |
F9 | 0.089 (12) | 0.061 (11) | 0.108 (13) | 0.011 (9) | 0.075 (11) | 0.017 (10) |
O7 | 0.036 (9) | 0.053 (12) | 0.034 (9) | 0.012 (8) | 0.015 (8) | −0.006 (8) |
O8 | 0.044 (11) | 0.050 (11) | 0.033 (9) | 0.021 (9) | 0.020 (8) | 0.004 (8) |
C19 | 0.038 (14) | 0.019 (12) | 0.051 (15) | −0.003 (10) | 0.029 (13) | −0.015 (11) |
C20 | 0.047 (16) | 0.08 (2) | 0.025 (12) | 0.018 (15) | 0.019 (12) | 0.002 (14) |
F10 | 0.059 (10) | 0.109 (14) | 0.102 (13) | 0.003 (10) | 0.057 (10) | −0.021 (11) |
F11 | 0.150 (18) | 0.17 (2) | 0.117 (17) | 0.059 (15) | 0.098 (15) | 0.032 (15) |
F12 | 0.102 (14) | 0.155 (18) | 0.113 (15) | −0.009 (13) | 0.061 (12) | −0.095 (14) |
O9 | 0.079 (16) | 0.081 (16) | 0.060 (13) | −0.005 (13) | 0.054 (12) | 0.022 (11) |
O10 | 0.039 (11) | 0.117 (18) | 0.040 (10) | −0.014 (11) | 0.029 (9) | 0.010 (11) |
C21 | 0.049 (11) | 0.046 (12) | 0.060 (11) | 0.000 (9) | 0.034 (9) | 0.002 (9) |
C22 | 0.061 (12) | 0.052 (12) | 0.040 (10) | −0.002 (10) | 0.025 (9) | 0.010 (9) |
F13 | 0.097 (13) | 0.085 (12) | 0.085 (11) | 0.033 (10) | 0.064 (11) | 0.013 (10) |
F14 | 0.105 (15) | 0.141 (17) | 0.077 (12) | 0.011 (12) | 0.068 (12) | 0.022 (12) |
F15 | 0.104 (14) | 0.093 (13) | 0.098 (13) | −0.025 (12) | 0.069 (12) | −0.004 (11) |
Geometric parameters (Å, º) top
Ag1—O8i | 2.156 (16) | S1—O11 | 1.521 (19) |
Ag1—C1 | 2.16 (2) | S1—C23 | 1.74 (3) |
Ag1—O11 | 2.580 (17) | S1—C24 | 1.78 (3) |
Ag1—Ag2 | 2.879 (3) | C23—H23A | 0.9800 |
Ag1—Ag3 | 2.949 (2) | C23—H23B | 0.9800 |
Ag1—Ag4 | 2.993 (3) | C23—H23C | 0.9800 |
Ag1—Ag5i | 3.053 (2) | C24—H24A | 0.9800 |
Ag1—Ag6i | 3.184 (2) | C24—H24B | 0.9800 |
Ag2—O3 | 2.27 (2) | C24—H24C | 0.9800 |
Ag2—C1 | 2.28 (2) | S2—O12 | 1.55 (2) |
Ag2—O1 | 2.40 (2) | S2—C26 | 1.70 (4) |
Ag2—Ag3 | 2.924 (2) | S2—C25 | 1.79 (3) |
Ag2—Ag6i | 3.097 (2) | C25—H25A | 0.9800 |
Ag3—C1 | 2.20 (2) | C25—H25B | 0.9800 |
Ag3—O5 | 2.279 (17) | C25—H25C | 0.9800 |
Ag3—C5i | 2.29 (2) | C26—H26A | 0.9800 |
Ag3—O2 | 2.380 (19) | C26—H26B | 0.9800 |
Ag3—Ag6i | 2.801 (2) | C26—H26C | 0.9800 |
Ag3—Ag5i | 2.873 (2) | S3—O13 | 1.504 (17) |
Ag3—Ag4 | 3.161 (3) | S3—C27 | 1.72 (2) |
Ag4—O12 | 2.287 (19) | S3—C28 | 1.80 (4) |
Ag4—C1 | 2.34 (2) | C27—H27A | 0.9800 |
Ag4—O6 | 2.35 (2) | C27—H27B | 0.9800 |
Ag4—O14i | 2.409 (16) | C27—H27C | 0.9800 |
Ag4—C2 | 2.64 (2) | C28—H28A | 0.9800 |
Ag5—C5 | 2.21 (3) | C28—H28B | 0.9800 |
Ag5—O7 | 2.240 (17) | C28—H28C | 0.9800 |
Ag5—O13 | 2.356 (15) | S4—O14 | 1.506 (18) |
Ag5—O14 | 2.535 (15) | S4—C30 | 1.72 (3) |
Ag5—Ag6 | 2.866 (2) | S4—C29 | 1.78 (3) |
Ag5—Ag3ii | 2.873 (2) | O14—Ag4ii | 2.409 (16) |
Ag5—Ag7 | 3.032 (3) | C29—H29A | 0.9800 |
Ag5—Ag1ii | 3.053 (2) | C29—H29B | 0.9800 |
Ag6—C5 | 2.22 (2) | C29—H29C | 0.9800 |
Ag6—O9 | 2.274 (18) | C30—H30A | 0.9800 |
Ag6—O4ii | 2.286 (18) | C30—H30B | 0.9800 |
Ag6—Ag3ii | 2.801 (2) | C30—H30C | 0.9800 |
Ag6—Ag7 | 2.914 (2) | S5—O15 | 1.51 (2) |
Ag6—Ag2ii | 3.098 (2) | S5—C31 | 1.83 (4) |
Ag6—Ag1ii | 3.184 (2) | S5—C32 | 1.84 (4) |
Ag7—O10 | 2.300 (17) | C31—H31A | 0.9800 |
Ag7—O15 | 2.389 (18) | C31—H31B | 0.9800 |
Ag7—C5 | 2.40 (2) | C31—H31C | 0.9800 |
Ag7—O11 | 2.449 (18) | C32—H32A | 0.9800 |
Ag7—C4 | 2.51 (2) | C32—H32B | 0.9800 |
C1—C2 | 1.21 (3) | C32—H32C | 0.9800 |
C2—C3 | 1.46 (3) | S5'—C31' | 1.83 (4) |
C3—C6 | 1.34 (4) | S5'—C32' | 1.84 (4) |
C3—C4 | 1.45 (3) | C31'—H31D | 0.9800 |
C4—C5 | 1.22 (3) | C31'—H31E | 0.9800 |
C5—Ag3ii | 2.29 (2) | C31'—H31F | 0.9800 |
C6—C12 | 1.57 (4) | C32'—H32D | 0.9800 |
C6—C7 | 1.59 (5) | C32'—H32E | 0.9800 |
C7—C8 | 1.47 (5) | C32'—H32F | 0.9800 |
C7—H7A | 0.9900 | O1—C13 | 1.23 (3) |
C7—H7B | 0.9900 | O2—C13 | 1.24 (3) |
C8—C9 | 1.50 (6) | C13—C14 | 1.51 (3) |
C8—H8A | 0.9900 | C14—F1 | 1.287 (13) |
C8—H8B | 0.9900 | C14—F2 | 1.289 (13) |
C9—C10 | 1.46 (5) | C14—F3 | 1.291 (13) |
C9—H9A | 0.9900 | O3—C15 | 1.20 (3) |
C9—H9B | 0.9900 | O4—C15 | 1.24 (3) |
C10—C11 | 1.47 (6) | O4—Ag6i | 2.286 (18) |
C10—H10A | 0.9900 | C15—C16 | 1.55 (3) |
C10—H10B | 0.9900 | C16—F5 | 1.283 (13) |
C11—C12 | 1.47 (5) | C16—F6 | 1.286 (13) |
C11—H11A | 0.9900 | C16—F4 | 1.288 (13) |
C11—H11B | 0.9900 | O5—C17 | 1.19 (3) |
C12—H12A | 0.9900 | O6—C17 | 1.31 (3) |
C12—H12B | 0.9900 | C17—C18 | 1.54 (3) |
C7'—C8' | 1.47 (5) | C18—F7 | 1.276 (12) |
C7'—H7'1 | 0.9900 | C18—F8 | 1.283 (13) |
C7'—H7'2 | 0.9900 | C18—F9 | 1.293 (12) |
C8'—C9' | 1.50 (6) | O7—C19 | 1.26 (3) |
C8'—H8'1 | 0.9900 | O8—C19 | 1.20 (3) |
C8'—H8'2 | 0.9900 | O8—Ag1ii | 2.156 (16) |
C9'—C10' | 1.46 (5) | C19—C20 | 1.58 (3) |
C9'—H9'1 | 0.9900 | C20—F12 | 1.281 (13) |
C9'—H9'2 | 0.9900 | C20—F11 | 1.285 (13) |
C10'—C11' | 1.47 (6) | C20—F10 | 1.289 (13) |
C10'—H10C | 0.9900 | O9—C21 | 1.25 (4) |
C10'—H10D | 0.9900 | O10—C21 | 1.30 (4) |
C11'—C12' | 1.47 (5) | C21—C22 | 1.52 (3) |
C11'—H11C | 0.9900 | C22—F13 | 1.283 (13) |
C11'—H11D | 0.9900 | C22—F14 | 1.286 (13) |
C12'—H12C | 0.9900 | C22—F15 | 1.293 (13) |
C12'—H12D | 0.9900 | | |
| | | |
O8i—Ag1—C1 | 173.3 (8) | H7A—C7—H7B | 107.8 |
O8i—Ag1—O11 | 86.9 (6) | C7—C8—C9 | 116 (4) |
C1—Ag1—O11 | 86.9 (7) | C7—C8—H8A | 108.4 |
O8i—Ag1—Ag2 | 134.4 (5) | C9—C8—H8A | 108.4 |
C1—Ag1—Ag2 | 51.3 (6) | C7—C8—H8B | 108.4 |
O11—Ag1—Ag2 | 114.9 (4) | C9—C8—H8B | 108.4 |
O8i—Ag1—Ag3 | 136.0 (5) | H8A—C8—H8B | 107.4 |
C1—Ag1—Ag3 | 47.9 (6) | C10—C9—C8 | 118 (4) |
O11—Ag1—Ag3 | 128.2 (5) | C10—C9—H9A | 107.8 |
Ag2—Ag1—Ag3 | 60.20 (6) | C8—C9—H9A | 107.8 |
O8i—Ag1—Ag4 | 123.7 (5) | C10—C9—H9B | 107.8 |
C1—Ag1—Ag4 | 51.0 (6) | C8—C9—H9B | 107.8 |
O11—Ag1—Ag4 | 67.5 (5) | H9A—C9—H9B | 107.1 |
Ag2—Ag1—Ag4 | 101.89 (7) | C9—C10—C11 | 125 (4) |
Ag3—Ag1—Ag4 | 64.28 (6) | C9—C10—H10A | 106.2 |
O8i—Ag1—Ag5i | 80.3 (5) | C11—C10—H10A | 106.2 |
C1—Ag1—Ag5i | 101.7 (6) | C9—C10—H10B | 106.2 |
O11—Ag1—Ag5i | 130.7 (4) | C11—C10—H10B | 106.2 |
Ag2—Ag1—Ag5i | 107.64 (7) | H10A—C10—H10B | 106.3 |
Ag3—Ag1—Ag5i | 57.18 (5) | C12—C11—C10 | 112 (4) |
Ag4—Ag1—Ag5i | 80.76 (7) | C12—C11—H11A | 109.2 |
O8i—Ag1—Ag6i | 93.5 (5) | C10—C11—H11A | 109.2 |
C1—Ag1—Ag6i | 92.9 (5) | C12—C11—H11B | 109.2 |
O11—Ag1—Ag6i | 174.5 (4) | C10—C11—H11B | 109.2 |
Ag2—Ag1—Ag6i | 61.20 (6) | H11A—C11—H11B | 107.9 |
Ag3—Ag1—Ag6i | 54.20 (5) | C11—C12—C6 | 108 (3) |
Ag4—Ag1—Ag6i | 116.44 (7) | C11—C12—H12A | 110.1 |
Ag5i—Ag1—Ag6i | 54.66 (5) | C6—C12—H12A | 110.1 |
O3—Ag2—C1 | 166.7 (8) | C11—C12—H12B | 110.1 |
O3—Ag2—O1 | 88.8 (9) | C6—C12—H12B | 110.1 |
C1—Ag2—O1 | 99.7 (8) | H12A—C12—H12B | 108.5 |
O3—Ag2—Ag1 | 120.7 (6) | C8'—C7'—H7'1 | 109.3 |
C1—Ag2—Ag1 | 47.9 (6) | C8'—C7'—H7'2 | 109.3 |
O1—Ag2—Ag1 | 144.4 (6) | H7'1—C7'—H7'2 | 108.0 |
O3—Ag2—Ag3 | 123.1 (5) | C7'—C8'—C9' | 115 (4) |
C1—Ag2—Ag3 | 48.0 (5) | C7'—C8'—H8'1 | 108.6 |
O1—Ag2—Ag3 | 86.8 (5) | C9'—C8'—H8'1 | 108.6 |
Ag1—Ag2—Ag3 | 61.07 (6) | C7'—C8'—H8'2 | 108.6 |
O3—Ag2—Ag6i | 74.3 (5) | C9'—C8'—H8'2 | 108.6 |
C1—Ag2—Ag6i | 93.0 (6) | H8'1—C8'—H8'2 | 107.5 |
O1—Ag2—Ag6i | 111.5 (5) | C10'—C9'—C8' | 118 (4) |
Ag1—Ag2—Ag6i | 64.26 (6) | C10'—C9'—H9'1 | 107.7 |
Ag3—Ag2—Ag6i | 55.36 (5) | C8'—C9'—H9'1 | 107.7 |
C1—Ag3—O5 | 105.0 (7) | C10'—C9'—H9'2 | 107.7 |
C1—Ag3—C5i | 149.1 (8) | C8'—C9'—H9'2 | 107.7 |
O5—Ag3—C5i | 100.0 (8) | H9'1—C9'—H9'2 | 107.1 |
C1—Ag3—O2 | 103.1 (8) | C9'—C10'—C11' | 124 (4) |
O5—Ag3—O2 | 89.0 (8) | C9'—C10'—H10C | 106.2 |
C5i—Ag3—O2 | 95.2 (8) | C11'—C10'—H10C | 106.2 |
C1—Ag3—Ag6i | 103.4 (6) | C9'—C10'—H10D | 106.2 |
O5—Ag3—Ag6i | 150.5 (5) | C11'—C10'—H10D | 106.2 |
C5i—Ag3—Ag6i | 50.5 (6) | H10C—C10'—H10D | 106.4 |
O2—Ag3—Ag6i | 92.5 (6) | C12'—C11'—C10' | 113 (4) |
C1—Ag3—Ag5i | 106.6 (6) | C12'—C11'—H11C | 109.1 |
O5—Ag3—Ag5i | 102.9 (7) | C10'—C11'—H11C | 109.1 |
C5i—Ag3—Ag5i | 49.2 (7) | C12'—C11'—H11D | 109.1 |
O2—Ag3—Ag5i | 143.6 (5) | C10'—C11'—H11D | 109.1 |
Ag6i—Ag3—Ag5i | 60.65 (6) | H11C—C11'—H11D | 107.8 |
C1—Ag3—Ag2 | 50.4 (6) | C11'—C12'—H12C | 109.7 |
O5—Ag3—Ag2 | 142.1 (6) | C11'—C12'—H12D | 109.7 |
C5i—Ag3—Ag2 | 114.4 (6) | H12C—C12'—H12D | 108.2 |
O2—Ag3—Ag2 | 73.1 (5) | O11—S1—C23 | 104.5 (13) |
Ag6i—Ag3—Ag2 | 65.47 (6) | O11—S1—C24 | 102.7 (13) |
Ag5i—Ag3—Ag2 | 111.41 (7) | C23—S1—C24 | 97.2 (15) |
C1—Ag3—Ag1 | 47.0 (6) | S1—O11—Ag7 | 120.0 (11) |
O5—Ag3—Ag1 | 130.2 (5) | S1—O11—Ag1 | 116.6 (10) |
C5i—Ag3—Ag1 | 102.5 (6) | Ag7—O11—Ag1 | 91.8 (6) |
O2—Ag3—Ag1 | 131.8 (5) | S1—C23—H23A | 109.5 |
Ag6i—Ag3—Ag1 | 67.19 (6) | S1—C23—H23B | 109.5 |
Ag5i—Ag3—Ag1 | 63.24 (5) | H23A—C23—H23B | 109.5 |
Ag2—Ag3—Ag1 | 58.72 (6) | S1—C23—H23C | 109.5 |
C1—Ag3—Ag4 | 47.8 (6) | H23A—C23—H23C | 109.5 |
O5—Ag3—Ag4 | 72.4 (5) | H23B—C23—H23C | 109.5 |
C5i—Ag3—Ag4 | 127.2 (7) | S1—C24—H24A | 109.5 |
O2—Ag3—Ag4 | 135.5 (5) | S1—C24—H24B | 109.5 |
Ag6i—Ag3—Ag4 | 123.38 (8) | H24A—C24—H24B | 109.5 |
Ag5i—Ag3—Ag4 | 80.80 (6) | S1—C24—H24C | 109.5 |
Ag2—Ag3—Ag4 | 97.03 (7) | H24A—C24—H24C | 109.5 |
Ag1—Ag3—Ag4 | 58.55 (6) | H24B—C24—H24C | 109.5 |
O12—Ag4—C1 | 135.4 (8) | O12—S2—C26 | 103.7 (18) |
O12—Ag4—O6 | 87.3 (8) | O12—S2—C25 | 104.9 (14) |
C1—Ag4—O6 | 114.8 (7) | C26—S2—C25 | 101.6 (18) |
O12—Ag4—O14i | 104.5 (7) | S2—O12—Ag4 | 116.3 (12) |
C1—Ag4—O14i | 114.1 (7) | S2—C25—H25A | 109.5 |
O6—Ag4—O14i | 88.0 (7) | S2—C25—H25B | 109.5 |
O12—Ag4—C2 | 109.5 (8) | H25A—C25—H25B | 109.5 |
C1—Ag4—C2 | 27.2 (7) | S2—C25—H25C | 109.5 |
O6—Ag4—C2 | 112.7 (7) | H25A—C25—H25C | 109.5 |
O14i—Ag4—C2 | 140.6 (6) | H25B—C25—H25C | 109.5 |
O12—Ag4—Ag1 | 133.4 (7) | S2—C26—H26A | 109.5 |
C1—Ag4—Ag1 | 45.9 (5) | S2—C26—H26B | 109.5 |
O6—Ag4—Ag1 | 138.4 (6) | H26A—C26—H26B | 109.5 |
O14i—Ag4—Ag1 | 75.4 (4) | S2—C26—H26C | 109.5 |
C2—Ag4—Ag1 | 66.9 (5) | H26A—C26—H26C | 109.5 |
O12—Ag4—Ag3 | 167.7 (7) | H26B—C26—H26C | 109.5 |
C1—Ag4—Ag3 | 44.0 (5) | O13—S3—C27 | 106.5 (14) |
O6—Ag4—Ag3 | 83.6 (5) | O13—S3—C28 | 104.4 (14) |
O14i—Ag4—Ag3 | 83.5 (4) | C27—S3—C28 | 98.9 (17) |
C2—Ag4—Ag3 | 66.9 (5) | S3—O13—Ag5 | 129.2 (9) |
Ag1—Ag4—Ag3 | 57.17 (5) | S3—C27—H27A | 109.5 |
C5—Ag5—O7 | 143.7 (8) | S3—C27—H27B | 109.5 |
C5—Ag5—O13 | 101.4 (7) | H27A—C27—H27B | 109.5 |
O7—Ag5—O13 | 91.6 (6) | S3—C27—H27C | 109.5 |
C5—Ag5—O14 | 130.4 (7) | H27A—C27—H27C | 109.5 |
O7—Ag5—O14 | 84.5 (6) | H27B—C27—H27C | 109.5 |
O13—Ag5—O14 | 82.8 (6) | S3—C28—H28A | 109.5 |
C5—Ag5—Ag6 | 49.9 (6) | S3—C28—H28B | 109.5 |
O7—Ag5—Ag6 | 100.3 (5) | H28A—C28—H28B | 109.5 |
O13—Ag5—Ag6 | 141.0 (4) | S3—C28—H28C | 109.5 |
O14—Ag5—Ag6 | 135.0 (4) | H28A—C28—H28C | 109.5 |
C5—Ag5—Ag3ii | 51.4 (6) | H28B—C28—H28C | 109.5 |
O7—Ag5—Ag3ii | 137.0 (4) | O14—S4—C30 | 103.6 (13) |
O13—Ag5—Ag3ii | 129.3 (4) | O14—S4—C29 | 105.3 (12) |
O14—Ag5—Ag3ii | 87.6 (4) | C30—S4—C29 | 97.5 (15) |
Ag6—Ag5—Ag3ii | 58.43 (6) | S4—O14—Ag4ii | 122.1 (8) |
C5—Ag5—Ag7 | 51.7 (6) | S4—O14—Ag5 | 115.2 (8) |
O7—Ag5—Ag7 | 97.6 (5) | Ag4ii—O14—Ag5 | 104.8 (6) |
O13—Ag5—Ag7 | 82.6 (4) | S4—C29—H29A | 109.5 |
O14—Ag5—Ag7 | 165.3 (4) | S4—C29—H29B | 109.5 |
Ag6—Ag5—Ag7 | 59.13 (6) | H29A—C29—H29B | 109.5 |
Ag3ii—Ag5—Ag7 | 100.38 (7) | S4—C29—H29C | 109.5 |
C5—Ag5—Ag1ii | 101.2 (6) | H29A—C29—H29C | 109.5 |
O7—Ag5—Ag1ii | 77.7 (4) | H29B—C29—H29C | 109.5 |
O13—Ag5—Ag1ii | 153.9 (4) | S4—C30—H30A | 109.5 |
O14—Ag5—Ag1ii | 72.6 (4) | S4—C30—H30B | 109.5 |
Ag6—Ag5—Ag1ii | 64.99 (6) | H30A—C30—H30B | 109.5 |
Ag3ii—Ag5—Ag1ii | 59.58 (5) | S4—C30—H30C | 109.5 |
Ag7—Ag5—Ag1ii | 122.01 (8) | H30A—C30—H30C | 109.5 |
C5—Ag6—O9 | 139.3 (9) | H30B—C30—H30C | 109.5 |
C5—Ag6—O4ii | 114.2 (9) | O15—S5—C31 | 105.4 (17) |
O9—Ag6—O4ii | 92.5 (9) | O15—S5—C32 | 98.8 (17) |
C5—Ag6—Ag3ii | 52.6 (5) | C31—S5—C32 | 103 (2) |
O9—Ag6—Ag3ii | 147.1 (6) | S5—O15—Ag7 | 138.6 (10) |
O4ii—Ag6—Ag3ii | 109.3 (6) | S5—C31—H31A | 109.5 |
C5—Ag6—Ag5 | 49.6 (7) | S5—C31—H31B | 109.5 |
O9—Ag6—Ag5 | 102.3 (6) | H31A—C31—H31B | 109.5 |
O4ii—Ag6—Ag5 | 163.7 (6) | S5—C31—H31C | 109.5 |
Ag3ii—Ag6—Ag5 | 60.92 (6) | H31A—C31—H31C | 109.5 |
C5—Ag6—Ag7 | 53.8 (6) | H31B—C31—H31C | 109.5 |
O9—Ag6—Ag7 | 89.0 (6) | S5—C32—H32A | 109.5 |
O4ii—Ag6—Ag7 | 110.6 (4) | S5—C32—H32B | 109.5 |
Ag3ii—Ag6—Ag7 | 105.11 (7) | H32A—C32—H32B | 109.5 |
Ag5—Ag6—Ag7 | 63.29 (6) | S5—C32—H32C | 109.5 |
C5—Ag6—Ag2ii | 110.3 (6) | H32A—C32—H32C | 109.5 |
O9—Ag6—Ag2ii | 105.8 (6) | H32B—C32—H32C | 109.5 |
O4ii—Ag6—Ag2ii | 75.3 (4) | C31'—S5'—C32' | 101 (2) |
Ag3ii—Ag6—Ag2ii | 59.17 (6) | S5'—C31'—H31D | 109.5 |
Ag5—Ag6—Ag2ii | 106.80 (7) | S5'—C31'—H31E | 109.5 |
Ag7—Ag6—Ag2ii | 164.07 (8) | H31D—C31'—H31E | 109.5 |
C5—Ag6—Ag1ii | 97.2 (6) | S5'—C31'—H31F | 109.5 |
O9—Ag6—Ag1ii | 88.6 (6) | H31D—C31'—H31F | 109.5 |
O4ii—Ag6—Ag1ii | 127.8 (4) | H31E—C31'—H31F | 109.5 |
Ag3ii—Ag6—Ag1ii | 58.61 (6) | S5'—C32'—H32D | 109.5 |
Ag5—Ag6—Ag1ii | 60.35 (6) | S5'—C32'—H32E | 109.5 |
Ag7—Ag6—Ag1ii | 121.54 (8) | H32D—C32'—H32E | 109.5 |
Ag2ii—Ag6—Ag1ii | 54.54 (5) | S5'—C32'—H32F | 109.5 |
O10—Ag7—O15 | 88.5 (7) | H32D—C32'—H32F | 109.5 |
O10—Ag7—C5 | 120.4 (7) | H32E—C32'—H32F | 109.5 |
O15—Ag7—C5 | 137.8 (8) | C13—O1—Ag2 | 112.5 (17) |
O10—Ag7—O11 | 87.1 (7) | C13—O2—Ag3 | 131.2 (15) |
O15—Ag7—O11 | 86.8 (7) | O1—C13—O2 | 128 (2) |
C5—Ag7—O11 | 121.8 (8) | O1—C13—C14 | 115 (2) |
O10—Ag7—C4 | 147.6 (7) | O2—C13—C14 | 116.6 (19) |
O15—Ag7—C4 | 121.7 (7) | F1—C14—F2 | 107.3 (13) |
C5—Ag7—C4 | 28.6 (7) | F1—C14—F3 | 107.5 (12) |
O11—Ag7—C4 | 104.5 (8) | F2—C14—F3 | 106.2 (13) |
O10—Ag7—Ag6 | 75.1 (5) | F1—C14—C13 | 108 (2) |
O15—Ag7—Ag6 | 157.8 (4) | F2—C14—C13 | 115.2 (18) |
C5—Ag7—Ag6 | 48.2 (5) | F3—C14—C13 | 112.2 (18) |
O11—Ag7—Ag6 | 106.9 (4) | C15—O3—Ag2 | 119.8 (19) |
C4—Ag7—Ag6 | 72.6 (5) | C15—O4—Ag6i | 121.0 (16) |
O10—Ag7—Ag5 | 91.8 (5) | O3—C15—O4 | 127 (3) |
O15—Ag7—Ag5 | 109.1 (5) | O3—C15—C16 | 117 (2) |
C5—Ag7—Ag5 | 46.3 (6) | O4—C15—C16 | 116 (2) |
O11—Ag7—Ag5 | 164.0 (4) | F5—C16—F6 | 108.1 (13) |
C4—Ag7—Ag5 | 68.8 (6) | F5—C16—F4 | 108.4 (12) |
Ag6—Ag7—Ag5 | 57.59 (6) | F6—C16—F4 | 107.6 (12) |
C2—C1—Ag1 | 133.3 (17) | F5—C16—C15 | 110.3 (17) |
C2—C1—Ag3 | 141.0 (17) | F6—C16—C15 | 109.6 (18) |
Ag1—C1—Ag3 | 85.1 (8) | F4—C16—C15 | 112.7 (17) |
C2—C1—Ag2 | 107.4 (19) | C17—O5—Ag3 | 137.2 (17) |
Ag1—C1—Ag2 | 80.8 (7) | C17—O6—Ag4 | 114.0 (16) |
Ag3—C1—Ag2 | 81.6 (7) | O5—C17—O6 | 127 (2) |
C2—C1—Ag4 | 90.2 (17) | O5—C17—C18 | 117 (2) |
Ag1—C1—Ag4 | 83.1 (8) | O6—C17—C18 | 116 (2) |
Ag3—C1—Ag4 | 88.2 (8) | F7—C18—F8 | 109.2 (12) |
Ag2—C1—Ag4 | 161.6 (11) | F7—C18—F9 | 108.7 (12) |
C1—C2—C3 | 173 (3) | F8—C18—F9 | 107.6 (12) |
C1—C2—Ag4 | 62.6 (15) | F7—C18—C17 | 113.9 (18) |
C3—C2—Ag4 | 122.6 (18) | F8—C18—C17 | 108.4 (16) |
C6—C3—C4 | 124 (2) | F9—C18—C17 | 108.7 (17) |
C6—C3—C2 | 123 (2) | C19—O7—Ag5 | 124.2 (15) |
C4—C3—C2 | 112.4 (19) | C19—O8—Ag1ii | 126.5 (16) |
C5—C4—C3 | 175 (2) | O8—C19—O7 | 130 (2) |
C5—C4—Ag7 | 70.9 (14) | O8—C19—C20 | 115 (2) |
C3—C4—Ag7 | 114.1 (15) | O7—C19—C20 | 115 (2) |
C4—C5—Ag5 | 132 (2) | F12—C20—F11 | 108.1 (12) |
C4—C5—Ag6 | 137 (2) | F12—C20—F10 | 108.4 (12) |
Ag5—C5—Ag6 | 80.5 (8) | F11—C20—F10 | 107.4 (12) |
C4—C5—Ag3ii | 128.6 (18) | F12—C20—C19 | 108.0 (16) |
Ag5—C5—Ag3ii | 79.4 (7) | F11—C20—C19 | 111.6 (18) |
Ag6—C5—Ag3ii | 76.8 (7) | F10—C20—C19 | 113.2 (16) |
C4—C5—Ag7 | 80.4 (14) | C21—O9—Ag6 | 115.8 (19) |
Ag5—C5—Ag7 | 82.0 (8) | C21—O10—Ag7 | 131.4 (18) |
Ag6—C5—Ag7 | 78.0 (7) | O9—C21—O10 | 127 (3) |
Ag3ii—C5—Ag7 | 150.7 (10) | O9—C21—C22 | 118 (2) |
C3—C6—C12 | 122 (3) | O10—C21—C22 | 113 (2) |
C3—C6—C7 | 121 (3) | F13—C22—F14 | 108.9 (13) |
C12—C6—C7 | 117 (3) | F13—C22—F15 | 107.9 (13) |
C8—C7—C6 | 113 (3) | F14—C22—F15 | 107.1 (12) |
C8—C7—H7A | 109.1 | F13—C22—C21 | 111.6 (18) |
C6—C7—H7A | 109.1 | F14—C22—C21 | 109.6 (18) |
C8—C7—H7B | 109.1 | F15—C22—C21 | 111.6 (18) |
C6—C7—H7B | 109.1 | | |
| | | |
Ag1—C1—C2—Ag4 | 81 (2) | O2—C13—C14—F1 | −56 (3) |
Ag3—C1—C2—Ag4 | −87 (3) | O1—C13—C14—F2 | 4 (3) |
Ag2—C1—C2—Ag4 | 174.4 (14) | O2—C13—C14—F2 | −176 (2) |
Ag4—C2—C3—C6 | 65 (3) | O1—C13—C14—F3 | −118 (3) |
Ag4—C2—C3—C4 | −108 (2) | O2—C13—C14—F3 | 63 (3) |
C6—C3—C4—Ag7 | −168 (3) | Ag2—O3—C15—O4 | 36 (4) |
C2—C3—C4—Ag7 | 5 (3) | Ag2—O3—C15—C16 | −139.0 (18) |
Ag7—C4—C5—Ag5 | −70.1 (19) | Ag6i—O4—C15—O3 | 10 (4) |
Ag7—C4—C5—Ag6 | 60 (2) | Ag6i—O4—C15—C16 | −174.9 (15) |
Ag7—C4—C5—Ag3ii | 176 (2) | O3—C15—C16—F5 | −142 (2) |
C4—C3—C6—C12 | 171 (3) | O4—C15—C16—F5 | 43 (3) |
C2—C3—C6—C12 | −1 (5) | O3—C15—C16—F6 | 99 (3) |
C4—C3—C6—C7 | 0 (5) | O4—C15—C16—F6 | −76 (3) |
C2—C3—C6—C7 | −172 (3) | O3—C15—C16—F4 | −21 (3) |
C3—C6—C7—C8 | −163 (4) | O4—C15—C16—F4 | 164 (2) |
C12—C6—C7—C8 | 26 (5) | Ag3—O5—C17—O6 | 28 (5) |
C6—C7—C8—C9 | 51 (5) | Ag3—O5—C17—C18 | −160.2 (19) |
C7—C8—C9—C10 | −81 (5) | Ag4—O6—C17—O5 | −31 (4) |
C8—C9—C10—C11 | 53 (6) | Ag4—O6—C17—C18 | 157.2 (15) |
C9—C10—C11—C12 | −48 (6) | O5—C17—C18—F7 | 160 (2) |
C10—C11—C12—C6 | 76 (4) | O6—C17—C18—F7 | −27 (3) |
C3—C6—C12—C11 | 99 (4) | O5—C17—C18—F8 | −78 (3) |
C7—C6—C12—C11 | −90 (4) | O6—C17—C18—F8 | 95 (2) |
C7'—C8'—C9'—C10' | −37 (8) | O5—C17—C18—F9 | 39 (3) |
C8'—C9'—C10'—C11' | 38 (10) | O6—C17—C18—F9 | −148 (2) |
C9'—C10'—C11'—C12' | −83 (7) | Ag1ii—O8—C19—O7 | 3 (4) |
C23—S1—O11—Ag7 | −180.0 (13) | Ag1ii—O8—C19—C20 | −174.6 (13) |
C24—S1—O11—Ag7 | −79.0 (15) | Ag5—O7—C19—O8 | 8 (4) |
C23—S1—O11—Ag1 | 70.7 (15) | Ag5—O7—C19—C20 | −174.9 (13) |
C24—S1—O11—Ag1 | 171.7 (14) | O8—C19—C20—F12 | 75 (2) |
C26—S2—O12—Ag4 | 90.1 (17) | O7—C19—C20—F12 | −103 (2) |
C25—S2—O12—Ag4 | −163.7 (16) | O8—C19—C20—F11 | −44 (2) |
C27—S3—O13—Ag5 | −166.7 (15) | O7—C19—C20—F11 | 139 (2) |
C28—S3—O13—Ag5 | −62.6 (17) | O8—C19—C20—F10 | −164.9 (19) |
C30—S4—O14—Ag4ii | −145.1 (13) | O7—C19—C20—F10 | 17 (3) |
C29—S4—O14—Ag4ii | −43.3 (15) | Ag6—O9—C21—O10 | 14 (4) |
C30—S4—O14—Ag5 | 86.0 (14) | Ag6—O9—C21—C22 | 178.9 (16) |
C29—S4—O14—Ag5 | −172.2 (12) | Ag7—O10—C21—O9 | −12 (5) |
C31—S5—O15—Ag7 | 22 (3) | Ag7—O10—C21—C22 | −177.7 (16) |
C32—S5—O15—Ag7 | −84 (2) | O9—C21—C22—F13 | 145 (2) |
Ag2—O1—C13—O2 | −14 (4) | O10—C21—C22—F13 | −48 (3) |
Ag2—O1—C13—C14 | 166.6 (16) | O9—C21—C22—F14 | 24 (3) |
Ag3—O2—C13—O1 | −14 (5) | O10—C21—C22—F14 | −169 (2) |
Ag3—O2—C13—C14 | 165.3 (17) | O9—C21—C22—F15 | −94 (3) |
O1—C13—C14—F1 | 124 (3) | O10—C21—C22—F15 | 73 (3) |
Symmetry codes: (i) x−1/2, −y+1/2, z−1/2; (ii) x+1/2, −y+1/2, z+1/2. |
Crystal data top
7(Ag+)·(C13H142−)·5(C2F3O2−)·4(C2H6SO) | V = 2542.2 (5) Å3 |
Mr = 1802.94 | Z = 2 |
Triclinic, P1 | F(000) = 1728 |
a = 13.4350 (15) Å | Dx = 2.355 Mg m−3 |
b = 13.8806 (15) Å | Mo Kα radiation, λ = 0.71073 Å |
c = 16.3609 (18) Å | µ = 2.92 mm−1 |
α = 110.194 (2)° | T = 173 K |
β = 106.492 (2)° | Block, yellow |
γ = 104.003 (2)° | 0.50 × 0.40 × 0.40 mm |
Data collection top
Bruker APEX-II CCD diffractometer | 15708 reflections with I > 2σ(I) |
φ and ω scan | Rint = 0.075 |
Absorption correction: multi-scan SADABS (Bruker, 2003) | θmax = 25.3°, θmin = 1.5° |
Tmin = 0.324, Tmax = 0.389 | h = −15→16 |
31854 measured reflections | k = −16→16 |
16780 independent reflections | l = −19→19 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.087 | H-atom parameters constrained |
wR(F2) = 0.235 | w = 1/[σ2(Fo2) + (0.1443P)2 + 44.008P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max = 0.002 |
16780 reflections | Δρmax = 3.89 e Å−3 |
1276 parameters | Δρmin = −1.66 e Å−3 |
615 restraints | Absolute structure: Refined as an inversion twin. |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.71 (8) |
Crystal data top
7(Ag+)·(C13H142−)·5(C2F3O2−)·4(C2H6SO) | γ = 104.003 (2)° |
Mr = 1802.94 | V = 2542.2 (5) Å3 |
Triclinic, P1 | Z = 2 |
a = 13.4350 (15) Å | Mo Kα radiation |
b = 13.8806 (15) Å | µ = 2.92 mm−1 |
c = 16.3609 (18) Å | T = 173 K |
α = 110.194 (2)° | 0.50 × 0.40 × 0.40 mm |
β = 106.492 (2)° | |
Data collection top
Bruker APEX-II CCD diffractometer | 16780 independent reflections |
Absorption correction: multi-scan SADABS (Bruker, 2003) | 15708 reflections with I > 2σ(I) |
Tmin = 0.324, Tmax = 0.389 | Rint = 0.075 |
31854 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.087 | H-atom parameters constrained |
wR(F2) = 0.235 | w = 1/[σ2(Fo2) + (0.1443P)2 + 44.008P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | Δρmax = 3.89 e Å−3 |
16780 reflections | Δρmin = −1.66 e Å−3 |
1276 parameters | Absolute structure: Refined as an inversion twin. |
615 restraints | Absolute structure parameter: 0.71 (8) |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ag1 | −0.38356 (18) | −1.04880 (17) | −0.29993 (16) | 0.0296 (5) | |
Ag2 | −0.39957 (15) | −0.95877 (15) | −0.43389 (14) | 0.0227 (4) | |
Ag3 | −0.18377 (17) | −0.97454 (18) | −0.33388 (18) | 0.0345 (5) | |
Ag4 | −0.2679 (3) | −0.8511 (2) | −0.11866 (19) | 0.0525 (8) | |
Ag5 | 0.01505 (17) | −0.74041 (16) | 0.06564 (14) | 0.0246 (4) | |
Ag6 | 0.09451 (18) | −0.73854 (17) | −0.09833 (15) | 0.0295 (5) | |
Ag7 | 0.17573 (17) | −0.53556 (16) | 0.09545 (14) | 0.0251 (4) | |
Ag8 | −0.05579 (19) | −0.55442 (18) | 0.10487 (15) | 0.0308 (5) | |
Ag9 | 0.09364 (17) | −0.34284 (16) | 0.30561 (15) | 0.0267 (4) | |
Ag10 | 0.16204 (17) | −0.53232 (16) | 0.26833 (14) | 0.0243 (4) | |
Ag11 | 0.39091 (17) | −0.42528 (19) | 0.27721 (16) | 0.0332 (5) | |
Ag12 | 0.38647 (17) | −0.06238 (17) | 0.58175 (15) | 0.0270 (5) | |
Ag13 | 0.4225 (2) | −0.26637 (17) | 0.53787 (16) | 0.0313 (5) | |
Ag14 | 0.61891 (17) | −0.18002 (17) | 0.50427 (15) | 0.0272 (5) | |
C1 | −0.282 (2) | −0.882 (2) | −0.2728 (19) | 0.023 (5) | |
C2 | −0.213 (2) | −0.782 (2) | −0.2325 (16) | 0.017 (5) | |
C3 | −0.135 (2) | −0.6717 (19) | −0.1801 (17) | 0.018 (5) | |
C4 | −0.061 (2) | −0.652 (2) | −0.092 (2) | 0.023 (5) | |
C5 | 0.001 (2) | −0.636 (2) | −0.003 (2) | 0.026 (5) | |
C6 | −0.134 (2) | −0.587 (2) | −0.212 (2) | 0.027 (6) | |
C7 | −0.053 (2) | −0.470 (2) | −0.143 (2) | 0.030 (6) | |
H7A | −0.0947 | −0.4300 | −0.1140 | 0.035* | |
H7B | 0.0041 | −0.4740 | −0.0918 | 0.035* | |
C8 | 0.007 (3) | −0.404 (3) | −0.180 (2) | 0.042 (7) | |
H8A | 0.0449 | −0.3258 | −0.1305 | 0.050* | |
H8B | −0.0485 | −0.4058 | −0.2361 | 0.050* | |
C9 | 0.095 (4) | −0.447 (4) | −0.209 (4) | 0.071 (12) | |
H9A | 0.1327 | −0.3977 | −0.2316 | 0.085* | |
H9B | 0.1533 | −0.4371 | −0.1499 | 0.085* | |
C10 | 0.058 (4) | −0.566 (4) | −0.283 (3) | 0.058 (10) | |
H10A | 0.0407 | −0.6170 | −0.2547 | 0.070* | |
H10B | 0.1194 | −0.5747 | −0.3027 | 0.070* | |
C11 | −0.050 (4) | −0.595 (4) | −0.373 (3) | 0.064 (11) | |
H11A | −0.0561 | −0.5247 | −0.3713 | 0.077* | |
H11B | −0.0390 | −0.6331 | −0.4308 | 0.077* | |
C12 | −0.152 (4) | −0.662 (4) | −0.379 (3) | 0.064 (11) | |
H12A | −0.1422 | −0.7286 | −0.3743 | 0.077* | |
H12B | −0.2095 | −0.6876 | −0.4434 | 0.077* | |
C13 | −0.202 (3) | −0.614 (3) | −0.307 (3) | 0.050 (9) | |
H13A | −0.2115 | −0.5467 | −0.3095 | 0.060* | |
H13B | −0.2766 | −0.6691 | −0.3258 | 0.060* | |
C14 | 0.224 (2) | −0.395 (2) | 0.2382 (18) | 0.021 (5) | |
C15 | 0.265 (2) | −0.292 (2) | 0.270 (2) | 0.025 (5) | |
C16 | 0.326 (2) | −0.1780 (18) | 0.3168 (16) | 0.014 (4) | |
C17 | 0.408 (3) | −0.143 (2) | 0.411 (2) | 0.032 (6) | |
C18 | 0.465 (2) | −0.146 (2) | 0.4811 (19) | 0.021 (5) | |
C19 | 0.316 (3) | −0.104 (3) | 0.280 (2) | 0.032 (6) | |
C20 | 0.373 (3) | 0.015 (3) | 0.331 (2) | 0.039 (7) | |
H20A | 0.4403 | 0.0311 | 0.3864 | 0.046* | |
H20B | 0.3231 | 0.0450 | 0.3561 | 0.046* | |
C21 | 0.413 (3) | 0.081 (3) | 0.279 (3) | 0.045 (8) | |
H21A | 0.4552 | 0.1602 | 0.3257 | 0.053* | |
H21B | 0.3465 | 0.0763 | 0.2297 | 0.053* | |
C22 | 0.490 (4) | 0.035 (4) | 0.232 (4) | 0.072 (12) | |
H22A | 0.5093 | 0.0810 | 0.1999 | 0.086* | |
H22B | 0.5603 | 0.0549 | 0.2858 | 0.086* | |
C23 | 0.464 (5) | −0.080 (5) | 0.164 (4) | 0.076 (13) | |
H23A | 0.4721 | −0.1258 | 0.1985 | 0.091* | |
H23B | 0.5174 | −0.0804 | 0.1329 | 0.091* | |
C24 | 0.347 (4) | −0.130 (4) | 0.090 (3) | 0.065 (11) | |
H24A | 0.3501 | −0.1700 | 0.0278 | 0.078* | |
H24B | 0.3255 | −0.0673 | 0.0864 | 0.078* | |
C25 | 0.246 (4) | −0.212 (4) | 0.096 (3) | 0.067 (11) | |
H25A | 0.1786 | −0.2436 | 0.0362 | 0.080* | |
H25B | 0.2665 | −0.2738 | 0.1022 | 0.080* | |
C26 | 0.221 (3) | −0.155 (3) | 0.177 (2) | 0.042 (7) | |
H26A | 0.1547 | −0.2086 | 0.1734 | 0.050* | |
H26B | 0.2004 | −0.0946 | 0.1682 | 0.050* | |
S1 | 0.0743 (5) | −0.9081 (5) | −0.3241 (5) | 0.0257 (13) | |
O21 | 0.0129 (14) | −0.8547 (16) | −0.2695 (13) | 0.027 (4) | |
C47 | 0.163 (3) | −0.801 (3) | −0.338 (3) | 0.040 (7) | |
H47A | 0.1169 | −0.7801 | −0.3821 | 0.061* | |
H47B | 0.2138 | −0.8279 | −0.3641 | 0.061* | |
H47C | 0.2073 | −0.7359 | −0.2763 | 0.061* | |
C48 | 0.172 (3) | −0.935 (4) | −0.243 (3) | 0.046 (8) | |
H48A | 0.1316 | −0.9935 | −0.2309 | 0.069* | |
H48B | 0.2164 | −0.8673 | −0.1834 | 0.069* | |
H48C | 0.2226 | −0.9592 | −0.2715 | 0.069* | |
S2 | −0.2231 (7) | −0.8851 (7) | 0.0884 (6) | 0.0360 (17) | |
O22 | −0.1846 (19) | −0.875 (2) | 0.0112 (14) | 0.038 (5) | |
C49 | −0.337 (3) | −0.841 (3) | 0.076 (3) | 0.042 (8) | |
H49A | −0.3099 | −0.7610 | 0.0979 | 0.062* | |
H49B | −0.3763 | −0.8609 | 0.1135 | 0.062* | |
H49C | −0.3895 | −0.8784 | 0.0085 | 0.062* | |
C50 | −0.298 (5) | −1.030 (4) | 0.044 (4) | 0.073 (13) | |
H50A | −0.2448 | −1.0677 | 0.0466 | 0.110* | |
H50B | −0.3509 | −1.0601 | −0.0224 | 0.110* | |
H50C | −0.3388 | −1.0422 | 0.0825 | 0.110* | |
S3 | −0.3680 (7) | −0.6334 (7) | −0.0477 (6) | 0.0367 (17) | |
O23 | −0.2800 (17) | −0.6826 (19) | −0.0259 (15) | 0.036 (5) | |
C51 | −0.507 (3) | −0.758 (3) | −0.130 (2) | 0.047 (8) | |
H51A | −0.5314 | −0.7945 | −0.0940 | 0.070* | |
H51B | −0.4963 | −0.8103 | −0.1820 | 0.070* | |
H51C | −0.5641 | −0.7320 | −0.1572 | 0.070* | |
C52 | −0.341 (2) | −0.581 (3) | −0.126 (2) | 0.032 (6) | |
H52A | −0.2707 | −0.5159 | −0.0910 | 0.048* | |
H52B | −0.4026 | −0.5596 | −0.1519 | 0.048* | |
H52C | −0.3350 | −0.6380 | −0.1774 | 0.048* | |
S4 | 0.0300 (7) | −1.0024 (6) | −0.0916 (5) | 0.0335 (15) | |
O24 | 0.015 (2) | −0.8956 (18) | −0.0740 (15) | 0.040 (5) | |
C53 | 0.117 (4) | −0.989 (4) | 0.017 (3) | 0.061 (11) | |
H53A | 0.1929 | −0.9371 | 0.0368 | 0.092* | |
H53B | 0.1192 | −1.0618 | 0.0094 | 0.092* | |
H53C | 0.0879 | −0.9617 | 0.0649 | 0.092* | |
C54 | −0.094 (3) | −1.099 (3) | −0.107 (3) | 0.052 (9) | |
H54A | −0.1544 | −1.1168 | −0.1669 | 0.078* | |
H54B | −0.1148 | −1.0671 | −0.0539 | 0.078* | |
H54C | −0.0825 | −1.1665 | −0.1091 | 0.078* | |
S5 | 0.1171 (5) | −0.0987 (5) | 0.4906 (4) | 0.0219 (12) | |
O25 | 0.1783 (16) | −0.1792 (15) | 0.4562 (13) | 0.025 (4) | |
C55 | 0.109 (3) | −0.032 (3) | 0.417 (3) | 0.044 (8) | |
H55A | 0.1842 | 0.0188 | 0.4334 | 0.066* | |
H55B | 0.0606 | 0.0098 | 0.4258 | 0.066* | |
H55C | 0.0777 | −0.0875 | 0.3503 | 0.066* | |
C56 | −0.030 (2) | −0.181 (2) | 0.441 (2) | 0.026 (6) | |
H56A | −0.0435 | −0.2269 | 0.4741 | 0.039* | |
H56B | −0.0554 | −0.2289 | 0.3733 | 0.039* | |
H56C | −0.0721 | −0.1320 | 0.4496 | 0.039* | |
S6 | 0.1621 (6) | −0.4651 (6) | 0.4917 (5) | 0.0286 (14) | |
O26 | 0.2445 (18) | −0.4207 (17) | 0.4514 (14) | 0.035 (5) | |
C57 | 0.172 (4) | −0.345 (4) | 0.586 (3) | 0.056 (10) | |
H57A | 0.1363 | −0.3030 | 0.5590 | 0.084* | |
H57B | 0.2514 | −0.2990 | 0.6267 | 0.084* | |
H57C | 0.1346 | −0.3677 | 0.6231 | 0.084* | |
C58 | 0.232 (3) | −0.521 (3) | 0.561 (2) | 0.040 (7) | |
H58A | 0.2337 | −0.5898 | 0.5196 | 0.060* | |
H58B | 0.1919 | −0.5353 | 0.6001 | 0.060* | |
H58C | 0.3087 | −0.4673 | 0.6032 | 0.060* | |
S7 | 0.5048 (7) | −0.4923 (7) | 0.4683 (6) | 0.0392 (18) | |
O27 | 0.4769 (18) | −0.4092 (16) | 0.4351 (16) | 0.035 (5) | |
C59 | 0.605 (4) | −0.530 (4) | 0.424 (4) | 0.067 (12) | |
H59A | 0.6776 | −0.4676 | 0.4594 | 0.100* | |
H59B | 0.5789 | −0.5476 | 0.3563 | 0.100* | |
H59C | 0.6127 | −0.5946 | 0.4323 | 0.100* | |
C60 | 0.392 (3) | −0.617 (3) | 0.391 (3) | 0.056 (10) | |
H60A | 0.3262 | −0.6149 | 0.4046 | 0.084* | |
H60B | 0.4112 | −0.6780 | 0.4001 | 0.084* | |
H60C | 0.3764 | −0.6297 | 0.3253 | 0.084* | |
S8 | 0.6568 (8) | −0.2760 (7) | 0.2900 (7) | 0.045 (2) | |
O28 | 0.569 (2) | −0.282 (2) | 0.3294 (19) | 0.053 (7) | |
C61 | 0.702 (4) | −0.394 (4) | 0.283 (4) | 0.067 (12) | |
H61A | 0.7491 | −0.3807 | 0.3466 | 0.101* | |
H61B | 0.7452 | −0.4019 | 0.2429 | 0.101* | |
H61C | 0.6360 | −0.4628 | 0.2542 | 0.101* | |
C62 | 0.572 (4) | −0.327 (4) | 0.161 (3) | 0.067 (12) | |
H62A | 0.5412 | −0.2722 | 0.1522 | 0.100* | |
H62B | 0.5100 | −0.3974 | 0.1379 | 0.100* | |
H62C | 0.6191 | −0.3380 | 0.1259 | 0.100* | |
O1 | −0.3524 (17) | −1.1860 (17) | −0.2667 (15) | 0.032 (4)* | |
O2 | −0.5322 (18) | −1.313 (2) | −0.3373 (16) | 0.041 (6) | |
C27 | −0.437 (2) | −1.268 (2) | −0.2820 (19) | 0.024 (5) | |
C28 | −0.4005 (18) | −1.3323 (17) | −0.2239 (17) | 0.042 (8) | |
F1 | −0.4853 (19) | −1.4177 (19) | −0.243 (2) | 0.090 (10) | |
F2 | −0.325 (2) | −1.368 (3) | −0.243 (3) | 0.110 (12) | |
F3 | −0.359 (3) | −1.267 (2) | −0.1334 (17) | 0.141 (16) | |
O3 | −0.482 (2) | −1.022 (3) | −0.1882 (19) | 0.070 (11) | |
O4 | −0.6593 (19) | −1.077 (2) | −0.2961 (17) | 0.045 (6) | |
C29 | −0.585 (3) | −1.063 (2) | −0.222 (2) | 0.031 (6) | |
C30 | −0.6359 (18) | −1.0936 (18) | −0.1531 (16) | 0.042 (8) | |
F4 | −0.594 (3) | −1.159 (3) | −0.128 (3) | 0.127 (14) | |
F5 | −0.7440 (17) | −1.142 (2) | −0.1946 (18) | 0.089 (9) | |
F6 | −0.608 (2) | −1.003 (2) | −0.0784 (18) | 0.112 (13) | |
O5 | −0.4731 (17) | −0.8220 (16) | −0.4242 (15) | 0.030 (4) | |
O6 | −0.6226 (18) | −0.8911 (16) | −0.3978 (16) | 0.033 (5) | |
C31 | −0.560 (2) | −0.820 (2) | −0.4064 (19) | 0.022 (5) | |
C32 | −0.5856 (13) | −0.7147 (15) | −0.3985 (11) | 0.029 (6) | |
F7 | −0.5087 (14) | −0.6424 (15) | −0.4044 (14) | 0.050 (5) | |
F8 | −0.6817 (14) | −0.7421 (15) | −0.4661 (13) | 0.058 (6) | |
F9 | −0.5909 (17) | −0.6673 (15) | −0.3166 (11) | 0.053 (5) | |
O7 | −0.3209 (17) | −0.9409 (19) | −0.5395 (16) | 0.035 (5) | |
O8 | −0.203 (3) | −1.023 (3) | −0.4960 (18) | 0.066 (9) | |
C33 | −0.243 (3) | −0.973 (3) | −0.541 (2) | 0.037 (7) | |
C34 | −0.167 (2) | −0.934 (2) | −0.588 (2) | 0.081 (14) | |
F10 | −0.206 (3) | −0.881 (3) | −0.632 (3) | 0.113 (12) | |
F11 | −0.068 (3) | −0.867 (3) | −0.522 (2) | 0.137 (15) | |
F12 | −0.155 (3) | −1.016 (2) | −0.648 (2) | 0.115 (12) | |
O9 | −0.1194 (18) | −1.109 (2) | −0.326 (2) | 0.048 (6) | |
O10 | −0.2549 (18) | −1.2516 (16) | −0.4568 (15) | 0.037 (5) | |
C35 | −0.165 (2) | −1.206 (2) | −0.385 (2) | 0.029 (6) | |
C36 | −0.1062 (18) | −1.2819 (18) | −0.3635 (15) | 0.040 (7) | |
F13 | −0.008 (2) | −1.231 (2) | −0.2935 (18) | 0.109 (12) | |
F14 | −0.097 (2) | −1.344 (2) | −0.4391 (15) | 0.090 (10) | |
F15 | −0.171 (3) | −1.347 (3) | −0.342 (3) | 0.150 (18) | |
O11 | −0.1077 (19) | −0.6042 (17) | 0.2100 (14) | 0.034 (5) | |
O12 | −0.0333 (19) | −0.4442 (18) | 0.3394 (15) | 0.036 (5) | |
C37 | −0.095 (2) | −0.545 (3) | 0.289 (2) | 0.031 (6) | |
C38 | −0.1617 (16) | −0.6031 (17) | 0.3361 (14) | 0.046 (8) | |
F16 | −0.2671 (14) | −0.625 (2) | 0.2905 (16) | 0.076 (8) | |
F17 | −0.148 (2) | −0.6953 (16) | 0.3254 (18) | 0.076 (8) | |
F18 | −0.133 (2) | −0.5418 (18) | 0.4256 (12) | 0.077 (8) | |
O13 | −0.104 (2) | −0.4182 (18) | 0.0773 (17) | 0.049 (7) | |
O14 | −0.025 (2) | −0.275 (2) | 0.2222 (16) | 0.046 (6) | |
C39 | −0.080 (3) | −0.322 (2) | 0.137 (2) | 0.032 (6) | |
C40 | −0.1383 (19) | −0.2506 (19) | 0.0960 (16) | 0.043 (8) | |
F19 | −0.238 (2) | −0.313 (2) | 0.0287 (17) | 0.098 (10) | |
F20 | −0.150 (3) | −0.173 (2) | 0.1616 (17) | 0.112 (12) | |
F21 | −0.077 (2) | −0.204 (3) | 0.062 (3) | 0.129 (14) | |
O15 | 0.0417 (19) | −0.8175 (15) | 0.1631 (15) | 0.034 (5) | |
O16 | 0.124 (2) | −0.6664 (17) | 0.3067 (16) | 0.042 (6) | |
C41 | 0.077 (2) | −0.769 (2) | 0.250 (2) | 0.027 (6) | |
C42 | 0.0758 (16) | −0.8481 (16) | 0.2994 (13) | 0.036 (7) | |
F22 | 0.094 (2) | −0.7988 (16) | 0.3891 (12) | 0.066 (7) | |
F23 | 0.154 (2) | −0.887 (2) | 0.295 (2) | 0.096 (10) | |
F24 | −0.0196 (18) | −0.9311 (17) | 0.2564 (16) | 0.087 (9) | |
O17 | 0.256 (2) | −0.634 (2) | −0.0957 (19) | 0.054 (7) | |
O18 | 0.2842 (17) | −0.4720 (16) | 0.0230 (16) | 0.035 (5) | |
C43 | 0.298 (2) | −0.536 (3) | −0.048 (2) | 0.028 (6) | |
C44 | 0.3802 (17) | −0.4695 (16) | −0.0800 (13) | 0.042 (8) | |
F25 | 0.4730 (15) | −0.4860 (17) | −0.0541 (16) | 0.067 (7) | |
F26 | 0.3384 (18) | −0.5054 (19) | −0.1719 (11) | 0.065 (6) | |
F27 | 0.4050 (18) | −0.3626 (14) | −0.0412 (14) | 0.057 (6) | |
O19 | 0.260 (2) | −0.6802 (19) | 0.098 (2) | 0.058 (8) | |
O20 | 0.4398 (17) | −0.5637 (18) | 0.1967 (18) | 0.045 (6) | |
C45 | 0.3612 (19) | −0.651 (2) | 0.1285 (16) | 0.015 (5) | |
C46 | 0.4076 (16) | −0.7424 (17) | 0.0827 (13) | 0.038 (7) | |
F28 | 0.3365 (19) | −0.811 (2) | −0.0039 (13) | 0.083 (8) | |
F29 | 0.5039 (17) | −0.6974 (19) | 0.0825 (18) | 0.076 (8) | |
F30 | 0.419 (2) | −0.799 (2) | 0.1321 (18) | 0.088 (9) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0300 (11) | 0.0247 (10) | 0.0363 (12) | 0.0064 (8) | 0.0131 (9) | 0.0187 (9) |
Ag2 | 0.0189 (9) | 0.0216 (9) | 0.0258 (10) | 0.0066 (7) | 0.0066 (8) | 0.0112 (8) |
Ag3 | 0.0202 (10) | 0.0273 (11) | 0.0533 (14) | 0.0117 (8) | 0.0162 (10) | 0.0120 (10) |
Ag4 | 0.091 (2) | 0.0387 (14) | 0.0287 (13) | 0.0187 (14) | 0.0292 (14) | 0.0160 (11) |
Ag5 | 0.0298 (10) | 0.0211 (9) | 0.0224 (10) | 0.0092 (8) | 0.0074 (8) | 0.0119 (8) |
Ag6 | 0.0313 (11) | 0.0231 (10) | 0.0303 (11) | 0.0076 (8) | 0.0185 (9) | 0.0049 (8) |
Ag7 | 0.0241 (10) | 0.0245 (10) | 0.0189 (9) | 0.0048 (8) | 0.0071 (8) | 0.0055 (8) |
Ag8 | 0.0409 (12) | 0.0333 (11) | 0.0285 (11) | 0.0216 (10) | 0.0209 (10) | 0.0143 (9) |
Ag9 | 0.0278 (10) | 0.0244 (10) | 0.0326 (11) | 0.0136 (8) | 0.0163 (9) | 0.0119 (9) |
Ag10 | 0.0324 (10) | 0.0224 (9) | 0.0251 (10) | 0.0119 (8) | 0.0148 (8) | 0.0148 (8) |
Ag11 | 0.0222 (10) | 0.0391 (12) | 0.0306 (12) | 0.0126 (9) | 0.0078 (9) | 0.0087 (10) |
Ag12 | 0.0281 (10) | 0.0260 (10) | 0.0357 (11) | 0.0143 (8) | 0.0186 (9) | 0.0159 (9) |
Ag13 | 0.0459 (13) | 0.0202 (10) | 0.0365 (12) | 0.0137 (9) | 0.0236 (10) | 0.0156 (9) |
Ag14 | 0.0234 (10) | 0.0293 (11) | 0.0245 (10) | 0.0130 (8) | 0.0062 (8) | 0.0079 (8) |
C1 | 0.026 (10) | 0.019 (9) | 0.024 (10) | 0.002 (8) | 0.006 (8) | 0.016 (8) |
C2 | 0.020 (9) | 0.016 (9) | 0.006 (8) | −0.007 (7) | 0.005 (7) | 0.004 (7) |
C3 | 0.016 (9) | 0.013 (9) | 0.018 (9) | 0.005 (7) | 0.008 (7) | 0.000 (7) |
C4 | 0.022 (10) | 0.025 (10) | 0.036 (11) | 0.010 (8) | 0.013 (8) | 0.025 (9) |
C5 | 0.026 (10) | 0.024 (10) | 0.048 (12) | 0.015 (8) | 0.030 (9) | 0.022 (9) |
C6 | 0.026 (10) | 0.028 (10) | 0.035 (11) | 0.009 (8) | 0.014 (8) | 0.022 (9) |
C7 | 0.024 (10) | 0.023 (10) | 0.029 (11) | 0.001 (8) | 0.005 (8) | 0.008 (9) |
C8 | 0.047 (13) | 0.036 (12) | 0.039 (12) | 0.009 (9) | 0.008 (9) | 0.027 (10) |
C9 | 0.071 (17) | 0.075 (17) | 0.066 (16) | 0.017 (12) | 0.035 (13) | 0.031 (13) |
C10 | 0.070 (16) | 0.055 (14) | 0.055 (14) | 0.020 (11) | 0.025 (11) | 0.032 (12) |
C11 | 0.069 (16) | 0.064 (16) | 0.057 (15) | 0.015 (11) | 0.025 (12) | 0.031 (12) |
C12 | 0.065 (16) | 0.069 (15) | 0.062 (15) | 0.018 (11) | 0.020 (11) | 0.043 (13) |
C13 | 0.060 (14) | 0.039 (12) | 0.055 (14) | 0.014 (10) | 0.016 (10) | 0.035 (11) |
C14 | 0.021 (5) | 0.021 (5) | 0.021 (5) | 0.008 (2) | 0.009 (2) | 0.009 (3) |
C15 | 0.022 (10) | 0.020 (10) | 0.029 (11) | 0.002 (8) | 0.008 (8) | 0.013 (8) |
C16 | 0.022 (9) | 0.011 (8) | 0.015 (9) | 0.008 (7) | 0.012 (7) | 0.009 (7) |
C17 | 0.036 (11) | 0.023 (10) | 0.037 (12) | 0.009 (8) | 0.005 (9) | 0.021 (9) |
C18 | 0.021 (10) | 0.014 (9) | 0.025 (10) | 0.004 (7) | 0.009 (8) | 0.008 (8) |
C19 | 0.041 (12) | 0.039 (11) | 0.027 (11) | 0.015 (9) | 0.024 (9) | 0.020 (9) |
C20 | 0.046 (12) | 0.031 (11) | 0.038 (12) | 0.021 (9) | 0.013 (9) | 0.013 (9) |
C21 | 0.044 (13) | 0.047 (13) | 0.048 (13) | 0.015 (10) | 0.020 (10) | 0.027 (10) |
C22 | 0.070 (17) | 0.072 (17) | 0.081 (17) | 0.032 (12) | 0.033 (12) | 0.037 (13) |
C23 | 0.085 (18) | 0.079 (18) | 0.074 (17) | 0.027 (12) | 0.039 (13) | 0.042 (13) |
C24 | 0.077 (16) | 0.071 (16) | 0.059 (15) | 0.027 (12) | 0.039 (12) | 0.032 (12) |
C25 | 0.079 (17) | 0.067 (16) | 0.056 (15) | 0.022 (12) | 0.021 (11) | 0.037 (13) |
C26 | 0.046 (13) | 0.034 (12) | 0.044 (13) | 0.012 (9) | 0.012 (9) | 0.024 (10) |
S1 | 0.021 (3) | 0.023 (3) | 0.019 (3) | 0.004 (2) | 0.009 (3) | −0.003 (2) |
O21 | 0.009 (8) | 0.028 (10) | 0.026 (10) | 0.002 (7) | 0.005 (7) | −0.003 (8) |
C47 | 0.037 (14) | 0.032 (14) | 0.049 (16) | 0.002 (11) | 0.033 (13) | 0.009 (12) |
C48 | 0.043 (16) | 0.08 (2) | 0.039 (15) | 0.040 (14) | 0.032 (13) | 0.025 (14) |
S2 | 0.038 (4) | 0.046 (4) | 0.034 (4) | 0.016 (3) | 0.019 (3) | 0.025 (4) |
O22 | 0.041 (12) | 0.056 (14) | 0.019 (10) | 0.017 (11) | 0.009 (9) | 0.022 (10) |
C49 | 0.024 (13) | 0.049 (17) | 0.054 (17) | 0.018 (12) | 0.023 (12) | 0.016 (13) |
C50 | 0.10 (3) | 0.049 (18) | 0.09 (2) | 0.033 (17) | 0.040 (19) | 0.040 (17) |
S3 | 0.037 (4) | 0.038 (4) | 0.038 (4) | 0.016 (3) | 0.016 (3) | 0.017 (3) |
O23 | 0.024 (10) | 0.046 (12) | 0.031 (11) | 0.021 (9) | 0.003 (8) | 0.011 (10) |
C51 | 0.074 (19) | 0.049 (16) | 0.026 (14) | 0.047 (15) | 0.023 (13) | 0.007 (12) |
C52 | 0.017 (11) | 0.036 (14) | 0.043 (15) | 0.012 (10) | 0.016 (11) | 0.013 (12) |
S4 | 0.038 (4) | 0.026 (3) | 0.028 (4) | 0.010 (3) | 0.010 (3) | 0.008 (3) |
O24 | 0.054 (14) | 0.033 (11) | 0.027 (11) | 0.006 (10) | 0.016 (10) | 0.015 (9) |
C53 | 0.06 (2) | 0.07 (2) | 0.06 (2) | 0.026 (16) | 0.014 (15) | 0.031 (16) |
C54 | 0.047 (17) | 0.040 (16) | 0.055 (18) | 0.006 (13) | 0.015 (14) | 0.018 (14) |
S5 | 0.021 (3) | 0.022 (3) | 0.019 (3) | 0.009 (2) | 0.009 (2) | 0.005 (2) |
O25 | 0.024 (9) | 0.016 (8) | 0.018 (9) | −0.004 (7) | 0.007 (7) | −0.002 (7) |
C55 | 0.055 (17) | 0.024 (13) | 0.055 (17) | 0.005 (12) | 0.017 (14) | 0.030 (13) |
C56 | 0.018 (11) | 0.015 (11) | 0.033 (13) | −0.001 (9) | 0.004 (10) | 0.008 (10) |
S6 | 0.027 (3) | 0.030 (3) | 0.029 (3) | 0.010 (3) | 0.013 (3) | 0.011 (3) |
O26 | 0.035 (11) | 0.032 (11) | 0.022 (10) | 0.000 (9) | 0.007 (9) | 0.009 (9) |
C57 | 0.07 (2) | 0.07 (2) | 0.045 (17) | 0.032 (16) | 0.046 (16) | 0.024 (15) |
C58 | 0.031 (13) | 0.046 (16) | 0.040 (15) | 0.008 (11) | 0.009 (11) | 0.025 (13) |
S7 | 0.050 (5) | 0.037 (4) | 0.033 (4) | 0.025 (4) | 0.016 (4) | 0.014 (3) |
O27 | 0.034 (11) | 0.021 (10) | 0.043 (12) | 0.010 (8) | 0.009 (10) | 0.012 (9) |
C59 | 0.055 (19) | 0.07 (2) | 0.08 (2) | 0.049 (17) | 0.012 (15) | 0.030 (17) |
C60 | 0.052 (18) | 0.045 (17) | 0.08 (2) | 0.021 (14) | 0.021 (15) | 0.040 (16) |
S8 | 0.042 (4) | 0.039 (4) | 0.043 (5) | 0.003 (3) | 0.024 (4) | 0.009 (4) |
O28 | 0.036 (13) | 0.055 (15) | 0.052 (15) | −0.001 (11) | 0.027 (12) | 0.012 (13) |
C61 | 0.043 (17) | 0.08 (2) | 0.07 (2) | 0.023 (16) | 0.023 (16) | 0.023 (17) |
C62 | 0.08 (2) | 0.08 (2) | 0.057 (19) | 0.019 (17) | 0.032 (16) | 0.043 (17) |
O2 | 0.027 (11) | 0.056 (14) | 0.036 (12) | 0.003 (10) | 0.003 (9) | 0.032 (11) |
C27 | 0.027 (11) | 0.022 (10) | 0.022 (10) | 0.004 (8) | 0.009 (8) | 0.013 (8) |
C28 | 0.039 (12) | 0.041 (12) | 0.042 (13) | 0.009 (9) | 0.012 (9) | 0.023 (10) |
F1 | 0.103 (18) | 0.053 (13) | 0.091 (17) | −0.005 (12) | 0.010 (13) | 0.054 (13) |
F2 | 0.11 (2) | 0.12 (2) | 0.14 (2) | 0.070 (17) | 0.043 (16) | 0.089 (18) |
F3 | 0.19 (3) | 0.12 (2) | 0.10 (2) | 0.05 (2) | 0.018 (17) | 0.08 (2) |
O3 | 0.038 (14) | 0.11 (3) | 0.037 (14) | −0.020 (15) | 0.001 (11) | 0.050 (16) |
O4 | 0.025 (11) | 0.059 (16) | 0.037 (12) | 0.012 (10) | 0.003 (10) | 0.017 (12) |
C29 | 0.032 (11) | 0.031 (11) | 0.029 (11) | 0.013 (9) | 0.008 (9) | 0.014 (9) |
C30 | 0.050 (13) | 0.043 (12) | 0.042 (12) | 0.010 (9) | 0.025 (10) | 0.029 (10) |
F4 | 0.17 (3) | 0.15 (2) | 0.13 (2) | 0.061 (18) | 0.104 (19) | 0.108 (19) |
F5 | 0.063 (14) | 0.11 (2) | 0.079 (16) | −0.001 (13) | 0.045 (13) | 0.043 (14) |
F6 | 0.13 (2) | 0.12 (2) | 0.093 (18) | 0.012 (15) | 0.096 (18) | 0.034 (15) |
O5 | 0.033 (10) | 0.021 (9) | 0.042 (12) | 0.018 (8) | 0.022 (9) | 0.010 (9) |
O6 | 0.037 (11) | 0.023 (10) | 0.046 (12) | 0.009 (9) | 0.024 (10) | 0.019 (9) |
C31 | 0.015 (9) | 0.026 (10) | 0.031 (10) | 0.015 (8) | 0.004 (7) | 0.018 (8) |
C32 | 0.030 (11) | 0.021 (10) | 0.033 (11) | 0.014 (8) | 0.004 (8) | 0.013 (9) |
F7 | 0.061 (12) | 0.033 (9) | 0.074 (13) | 0.026 (9) | 0.035 (10) | 0.030 (9) |
F8 | 0.059 (12) | 0.041 (10) | 0.065 (13) | 0.028 (9) | 0.004 (10) | 0.026 (10) |
F9 | 0.063 (12) | 0.035 (10) | 0.056 (12) | 0.023 (9) | 0.033 (10) | 0.004 (9) |
O7 | 0.025 (10) | 0.044 (12) | 0.045 (13) | 0.014 (9) | 0.014 (9) | 0.029 (11) |
O8 | 0.10 (2) | 0.10 (2) | 0.033 (13) | 0.09 (2) | 0.033 (14) | 0.032 (15) |
C33 | 0.030 (11) | 0.037 (12) | 0.041 (12) | 0.008 (9) | 0.017 (9) | 0.015 (9) |
C34 | 0.084 (19) | 0.079 (18) | 0.082 (18) | 0.022 (12) | 0.044 (14) | 0.037 (14) |
F10 | 0.14 (2) | 0.14 (2) | 0.13 (2) | 0.062 (17) | 0.096 (18) | 0.088 (18) |
F11 | 0.09 (2) | 0.14 (3) | 0.16 (3) | 0.019 (17) | 0.07 (2) | 0.05 (2) |
F12 | 0.16 (2) | 0.09 (2) | 0.12 (2) | 0.036 (16) | 0.10 (2) | 0.045 (16) |
O9 | 0.026 (11) | 0.042 (14) | 0.071 (17) | 0.014 (10) | 0.004 (11) | 0.030 (13) |
O10 | 0.035 (11) | 0.021 (10) | 0.035 (12) | 0.017 (9) | 0.002 (9) | −0.004 (9) |
C35 | 0.023 (10) | 0.023 (10) | 0.039 (12) | 0.006 (8) | 0.010 (9) | 0.018 (9) |
C36 | 0.039 (12) | 0.039 (12) | 0.042 (12) | 0.025 (10) | 0.015 (9) | 0.013 (9) |
F13 | 0.105 (19) | 0.076 (16) | 0.10 (2) | 0.063 (15) | −0.010 (14) | 0.017 (14) |
F14 | 0.098 (17) | 0.084 (16) | 0.087 (17) | 0.079 (15) | 0.021 (13) | 0.019 (12) |
F15 | 0.18 (3) | 0.14 (2) | 0.17 (3) | 0.064 (19) | 0.043 (18) | 0.13 (2) |
O11 | 0.049 (13) | 0.033 (11) | 0.024 (10) | 0.006 (9) | 0.028 (10) | 0.011 (9) |
O12 | 0.036 (11) | 0.030 (11) | 0.030 (11) | −0.001 (9) | 0.012 (9) | 0.010 (9) |
C37 | 0.023 (10) | 0.037 (12) | 0.038 (12) | 0.013 (8) | 0.020 (9) | 0.014 (9) |
C38 | 0.031 (12) | 0.044 (13) | 0.052 (14) | 0.012 (10) | 0.020 (10) | 0.009 (10) |
F16 | 0.036 (11) | 0.106 (18) | 0.068 (14) | 0.006 (11) | 0.029 (10) | 0.028 (13) |
F17 | 0.110 (18) | 0.059 (13) | 0.103 (17) | 0.030 (12) | 0.074 (15) | 0.060 (13) |
F18 | 0.093 (17) | 0.088 (16) | 0.056 (13) | 0.014 (13) | 0.049 (12) | 0.037 (12) |
O13 | 0.073 (17) | 0.022 (11) | 0.044 (13) | 0.027 (11) | 0.005 (12) | 0.015 (10) |
O14 | 0.072 (17) | 0.043 (13) | 0.034 (13) | 0.038 (13) | 0.017 (12) | 0.021 (11) |
C39 | 0.036 (11) | 0.025 (10) | 0.040 (12) | 0.009 (8) | 0.011 (9) | 0.024 (9) |
C40 | 0.044 (13) | 0.042 (12) | 0.046 (13) | 0.017 (10) | 0.010 (9) | 0.028 (11) |
F19 | 0.111 (19) | 0.085 (17) | 0.075 (16) | 0.053 (15) | −0.007 (13) | 0.036 (14) |
F20 | 0.15 (2) | 0.097 (18) | 0.101 (19) | 0.093 (18) | 0.019 (15) | 0.046 (15) |
F21 | 0.14 (2) | 0.15 (2) | 0.16 (3) | 0.087 (19) | 0.054 (17) | 0.12 (2) |
O15 | 0.051 (12) | 0.017 (9) | 0.031 (11) | 0.016 (9) | 0.003 (9) | 0.018 (9) |
O16 | 0.074 (17) | 0.022 (10) | 0.033 (12) | 0.018 (11) | 0.022 (11) | 0.016 (9) |
C41 | 0.028 (10) | 0.026 (10) | 0.027 (11) | 0.009 (8) | 0.007 (8) | 0.015 (9) |
C42 | 0.043 (12) | 0.033 (11) | 0.032 (12) | 0.012 (9) | 0.015 (9) | 0.017 (9) |
F22 | 0.099 (16) | 0.058 (13) | 0.066 (13) | 0.027 (11) | 0.042 (12) | 0.050 (11) |
F23 | 0.12 (2) | 0.096 (16) | 0.14 (2) | 0.078 (15) | 0.058 (15) | 0.093 (16) |
F24 | 0.112 (19) | 0.056 (14) | 0.075 (16) | 0.002 (12) | 0.019 (13) | 0.045 (13) |
O17 | 0.038 (13) | 0.060 (17) | 0.054 (16) | 0.004 (12) | 0.041 (13) | 0.008 (13) |
O18 | 0.024 (10) | 0.018 (9) | 0.040 (12) | 0.003 (8) | 0.018 (9) | −0.013 (8) |
C43 | 0.021 (10) | 0.038 (12) | 0.028 (11) | 0.011 (8) | 0.013 (8) | 0.013 (9) |
C44 | 0.039 (12) | 0.038 (12) | 0.044 (13) | 0.016 (10) | 0.021 (10) | 0.009 (9) |
F25 | 0.033 (10) | 0.067 (14) | 0.086 (16) | 0.011 (9) | 0.029 (11) | 0.021 (12) |
F26 | 0.062 (13) | 0.091 (16) | 0.041 (11) | 0.020 (11) | 0.024 (10) | 0.030 (11) |
F27 | 0.062 (13) | 0.048 (11) | 0.068 (13) | 0.017 (9) | 0.043 (11) | 0.023 (10) |
O19 | 0.067 (18) | 0.023 (11) | 0.056 (16) | 0.029 (12) | 0.004 (13) | −0.004 (11) |
O20 | 0.021 (10) | 0.026 (11) | 0.051 (14) | −0.001 (8) | 0.006 (10) | −0.011 (10) |
C45 | 0.014 (9) | 0.020 (9) | 0.011 (9) | 0.009 (7) | 0.007 (7) | 0.002 (7) |
C46 | 0.041 (12) | 0.039 (12) | 0.036 (12) | 0.017 (9) | 0.020 (9) | 0.013 (9) |
F28 | 0.108 (18) | 0.077 (16) | 0.047 (13) | 0.056 (14) | 0.027 (12) | −0.003 (11) |
F29 | 0.063 (13) | 0.080 (16) | 0.090 (17) | 0.034 (12) | 0.059 (13) | 0.017 (12) |
F30 | 0.12 (2) | 0.090 (16) | 0.101 (18) | 0.080 (15) | 0.052 (14) | 0.064 (14) |
Geometric parameters (Å, º) top
Ag1—C1 | 2.21 (2) | C26—H26B | 0.9900 |
Ag1—O1 | 2.25 (2) | S1—O21 | 1.51 (2) |
Ag1—O3 | 2.53 (3) | S1—C48 | 1.79 (3) |
Ag1—Ag2 | 2.857 (3) | S1—C47 | 1.80 (3) |
Ag1—Ag4 | 2.906 (3) | C47—H47A | 0.9800 |
Ag1—Ag3 | 2.912 (3) | C47—H47B | 0.9800 |
Ag1—Ag12i | 3.066 (3) | C47—H47C | 0.9800 |
Ag1—Ag14i | 3.105 (3) | C48—H48A | 0.9800 |
Ag1—Ag13i | 3.112 (3) | C48—H48B | 0.9800 |
Ag2—O7 | 2.32 (2) | C48—H48C | 0.9800 |
Ag2—O5 | 2.323 (18) | S2—O22 | 1.53 (2) |
Ag2—C1 | 2.34 (3) | S2—C49 | 1.77 (3) |
Ag2—C18i | 2.40 (2) | S2—C50 | 1.78 (5) |
Ag2—Ag14i | 2.980 (3) | C49—H49A | 0.9800 |
Ag2—Ag3 | 2.999 (3) | C49—H49B | 0.9800 |
Ag2—Ag12i | 3.011 (3) | C49—H49C | 0.9800 |
Ag3—C1 | 2.25 (3) | C50—H50A | 0.9800 |
Ag3—O9 | 2.27 (2) | C50—H50B | 0.9800 |
Ag3—O8 | 2.42 (2) | C50—H50C | 0.9800 |
Ag3—O21 | 2.438 (17) | S3—O23 | 1.52 (2) |
Ag3—Ag14i | 3.052 (3) | S3—C52 | 1.75 (3) |
Ag4—O22 | 2.276 (19) | S3—C51 | 1.92 (4) |
Ag4—C1 | 2.35 (3) | C51—H51A | 0.9800 |
Ag4—O23 | 2.38 (2) | C51—H51B | 0.9800 |
Ag4—C2 | 2.57 (2) | C51—H51C | 0.9800 |
Ag5—C5 | 2.13 (3) | C52—H52A | 0.9800 |
Ag5—O15 | 2.203 (18) | C52—H52B | 0.9800 |
Ag5—O24 | 2.54 (2) | C52—H52C | 0.9800 |
Ag5—O22 | 2.56 (2) | S4—O24 | 1.48 (2) |
Ag5—Ag8 | 2.894 (3) | S4—C53 | 1.74 (4) |
Ag5—Ag7 | 2.908 (3) | S4—C54 | 1.76 (4) |
Ag5—Ag6 | 3.162 (3) | C53—H53A | 0.9800 |
Ag5—Ag10 | 3.186 (3) | C53—H53B | 0.9800 |
Ag6—O17 | 2.28 (2) | C53—H53C | 0.9800 |
Ag6—O24 | 2.40 (2) | C54—H54A | 0.9800 |
Ag6—O21 | 2.435 (19) | C54—H54B | 0.9800 |
Ag6—C5 | 2.54 (3) | C54—H54C | 0.9800 |
Ag6—C4 | 2.66 (3) | S5—O25 | 1.59 (2) |
Ag6—Ag7 | 3.092 (3) | S5—C55 | 1.75 (3) |
Ag7—C5 | 2.18 (3) | S5—C56 | 1.80 (3) |
Ag7—C14 | 2.25 (3) | C55—H55A | 0.9800 |
Ag7—O18 | 2.32 (2) | C55—H55B | 0.9800 |
Ag7—O19 | 2.54 (2) | C55—H55C | 0.9800 |
Ag7—Ag10 | 2.872 (3) | C56—H56A | 0.9800 |
Ag7—Ag11 | 3.062 (3) | C56—H56B | 0.9800 |
Ag7—Ag8 | 3.110 (3) | C56—H56C | 0.9800 |
Ag8—C5 | 2.19 (3) | S6—O26 | 1.55 (2) |
Ag8—O11 | 2.277 (18) | S6—C58 | 1.77 (3) |
Ag8—O13 | 2.28 (2) | S6—C57 | 1.78 (4) |
Ag8—Ag9 | 3.191 (3) | C57—H57A | 0.9800 |
Ag8—Ag10 | 3.220 (3) | C57—H57B | 0.9800 |
Ag9—O12 | 2.26 (2) | C57—H57C | 0.9800 |
Ag9—O14 | 2.38 (2) | C58—H58A | 0.9800 |
Ag9—O25 | 2.412 (18) | C58—H58B | 0.9800 |
Ag9—C14 | 2.45 (3) | C58—H58C | 0.9800 |
Ag9—C15 | 2.52 (3) | S7—O27 | 1.51 (2) |
Ag9—Ag10 | 2.918 (3) | S7—C60 | 1.74 (4) |
Ag10—O16 | 2.16 (2) | S7—C59 | 1.80 (5) |
Ag10—C14 | 2.16 (3) | C59—H59A | 0.9800 |
Ag10—O26 | 2.58 (2) | C59—H59B | 0.9800 |
Ag10—Ag11 | 3.012 (3) | C59—H59C | 0.9800 |
Ag11—O20 | 2.28 (2) | C60—H60A | 0.9800 |
Ag11—C14 | 2.33 (2) | C60—H60B | 0.9800 |
Ag11—O28 | 2.41 (2) | C60—H60C | 0.9800 |
Ag11—O27 | 2.42 (2) | S8—O28 | 1.49 (3) |
Ag12—O4ii | 2.31 (3) | S8—C62 | 1.86 (5) |
Ag12—O6ii | 2.322 (19) | S8—C61 | 1.86 (5) |
Ag12—C18 | 2.33 (3) | C61—H61A | 0.9800 |
Ag12—Ag13 | 2.868 (3) | C61—H61B | 0.9800 |
Ag12—Ag2ii | 3.011 (3) | C61—H61C | 0.9800 |
Ag12—Ag1ii | 3.066 (3) | C62—H62A | 0.9800 |
Ag13—C18 | 2.21 (2) | C62—H62B | 0.9800 |
Ag13—O2ii | 2.32 (2) | C62—H62C | 0.9800 |
Ag13—O26 | 2.41 (2) | O1—C27 | 1.29 (3) |
Ag13—O27 | 2.53 (2) | O2—C27 | 1.19 (3) |
Ag13—Ag14 | 2.907 (3) | O2—Ag13i | 2.32 (2) |
Ag13—Ag1ii | 3.112 (3) | C27—C28 | 1.57 (3) |
Ag14—C18 | 2.19 (3) | C28—F1 | 1.299 (15) |
Ag14—O10ii | 2.215 (19) | C28—F3 | 1.300 (15) |
Ag14—O28 | 2.51 (3) | C28—F2 | 1.303 (15) |
Ag14—Ag2ii | 2.980 (3) | O3—C29 | 1.23 (4) |
Ag14—Ag3ii | 3.052 (3) | O4—C29 | 1.24 (4) |
Ag14—Ag1ii | 3.105 (3) | O4—Ag12i | 2.31 (3) |
C1—C2 | 1.26 (4) | C29—C30 | 1.60 (4) |
C2—C3 | 1.41 (3) | C30—F6 | 1.290 (15) |
C3—C4 | 1.39 (4) | C30—F5 | 1.294 (14) |
C3—C6 | 1.44 (4) | C30—F4 | 1.295 (14) |
C4—C5 | 1.36 (4) | O5—C31 | 1.29 (3) |
C6—C13 | 1.42 (5) | O6—C31 | 1.20 (3) |
C6—C7 | 1.51 (4) | O6—Ag12i | 2.323 (19) |
C7—C8 | 1.46 (4) | C31—C32 | 1.56 (3) |
C7—H7A | 0.9900 | C32—F8 | 1.302 (14) |
C7—H7B | 0.9900 | C32—F9 | 1.304 (14) |
C8—C9 | 1.57 (7) | C32—F7 | 1.305 (14) |
C8—H8A | 0.9900 | O7—C33 | 1.23 (4) |
C8—H8B | 0.9900 | O8—C33 | 1.27 (4) |
C9—C10 | 1.52 (7) | C33—C34 | 1.56 (4) |
C9—H9A | 0.9900 | C34—F10 | 1.295 (15) |
C9—H9B | 0.9900 | C34—F12 | 1.296 (15) |
C10—C11 | 1.59 (6) | C34—F11 | 1.305 (15) |
C10—H10A | 0.9900 | O9—C35 | 1.21 (4) |
C10—H10B | 0.9900 | O10—C35 | 1.25 (4) |
C11—C12 | 1.42 (6) | O10—Ag14i | 2.215 (19) |
C11—H11A | 0.9900 | C35—C36 | 1.53 (3) |
C11—H11B | 0.9900 | C36—F13 | 1.298 (15) |
C12—C13 | 1.54 (7) | C36—F14 | 1.301 (14) |
C12—H12A | 0.9900 | C36—F15 | 1.307 (15) |
C12—H12B | 0.9900 | O11—C37 | 1.20 (4) |
C13—H13A | 0.9900 | O12—C37 | 1.26 (4) |
C13—H13B | 0.9900 | C37—C38 | 1.59 (4) |
C14—C15 | 1.25 (4) | C38—F17 | 1.295 (15) |
C15—C16 | 1.40 (3) | C38—F18 | 1.297 (15) |
C16—C19 | 1.37 (4) | C38—F16 | 1.300 (15) |
C16—C17 | 1.45 (4) | O13—C39 | 1.25 (4) |
C17—C18 | 1.20 (4) | O14—C39 | 1.21 (4) |
C18—Ag2ii | 2.40 (2) | C39—C40 | 1.60 (3) |
C19—C20 | 1.45 (4) | C40—F21 | 1.297 (15) |
C19—C26 | 1.58 (4) | C40—F19 | 1.302 (15) |
C20—C21 | 1.54 (5) | C40—F20 | 1.305 (15) |
C20—H20A | 0.9900 | O15—C41 | 1.22 (4) |
C20—H20B | 0.9900 | O16—C41 | 1.27 (4) |
C21—C22 | 1.59 (6) | C41—C42 | 1.57 (3) |
C21—H21A | 0.9900 | C42—F24 | 1.295 (14) |
C21—H21B | 0.9900 | C42—F22 | 1.306 (14) |
C22—C23 | 1.48 (7) | C42—F23 | 1.307 (14) |
C22—H22A | 0.9900 | O17—C43 | 1.19 (4) |
C22—H22B | 0.9900 | O18—C43 | 1.29 (4) |
C23—C24 | 1.49 (7) | C43—C44 | 1.59 (4) |
C23—H23A | 0.9900 | C44—F26 | 1.301 (15) |
C23—H23B | 0.9900 | C44—F25 | 1.301 (15) |
C24—C25 | 1.60 (7) | C44—F27 | 1.307 (15) |
C24—H24A | 0.9900 | O19—C45 | 1.21 (4) |
C24—H24B | 0.9900 | O20—C45 | 1.27 (3) |
C25—C26 | 1.46 (6) | C45—C46 | 1.60 (3) |
C25—H25A | 0.9900 | C46—F29 | 1.294 (14) |
C25—H25B | 0.9900 | C46—F28 | 1.299 (15) |
C26—H26A | 0.9900 | C46—F30 | 1.307 (15) |
| | | |
C1—Ag1—O1 | 136.7 (9) | H7A—C7—H7B | 107.1 |
C1—Ag1—O3 | 106.5 (11) | C7—C8—C9 | 112 (3) |
O1—Ag1—O3 | 88.1 (10) | C7—C8—H8A | 109.2 |
C1—Ag1—Ag2 | 53.1 (7) | C9—C8—H8A | 109.2 |
O1—Ag1—Ag2 | 145.0 (6) | C7—C8—H8B | 109.2 |
O3—Ag1—Ag2 | 124.1 (8) | C9—C8—H8B | 109.2 |
C1—Ag1—Ag4 | 52.7 (7) | H8A—C8—H8B | 107.9 |
O1—Ag1—Ag4 | 104.9 (5) | C10—C9—C8 | 120 (4) |
O3—Ag1—Ag4 | 63.1 (6) | C10—C9—H9A | 107.4 |
Ag2—Ag1—Ag4 | 102.42 (9) | C8—C9—H9A | 107.4 |
C1—Ag1—Ag3 | 49.8 (8) | C10—C9—H9B | 107.4 |
O1—Ag1—Ag3 | 98.0 (6) | C8—C9—H9B | 107.4 |
O3—Ag1—Ag3 | 148.6 (6) | H9A—C9—H9B | 106.9 |
Ag2—Ag1—Ag3 | 62.62 (7) | C9—C10—C11 | 110 (4) |
Ag4—Ag1—Ag3 | 85.68 (10) | C9—C10—H10A | 109.6 |
C1—Ag1—Ag12i | 98.6 (7) | C11—C10—H10A | 109.6 |
O1—Ag1—Ag12i | 124.6 (5) | C9—C10—H10B | 109.6 |
O3—Ag1—Ag12i | 75.4 (6) | C11—C10—H10B | 109.6 |
Ag2—Ag1—Ag12i | 60.99 (7) | H10A—C10—H10B | 108.1 |
Ag4—Ag1—Ag12i | 112.80 (11) | C12—C11—C10 | 115 (4) |
Ag3—Ag1—Ag12i | 123.12 (9) | C12—C11—H11A | 108.5 |
C1—Ag1—Ag14i | 97.8 (7) | C10—C11—H11A | 108.5 |
O1—Ag1—Ag14i | 85.5 (6) | C12—C11—H11B | 108.5 |
O3—Ag1—Ag14i | 150.5 (6) | C10—C11—H11B | 108.5 |
Ag2—Ag1—Ag14i | 59.81 (7) | H11A—C11—H11B | 107.5 |
Ag4—Ag1—Ag14i | 146.24 (11) | C11—C12—C13 | 120 (4) |
Ag3—Ag1—Ag14i | 60.86 (7) | C11—C12—H12A | 107.4 |
Ag12i—Ag1—Ag14i | 84.79 (8) | C13—C12—H12A | 107.4 |
C1—Ag1—Ag13i | 141.1 (7) | C11—C12—H12B | 107.4 |
O1—Ag1—Ag13i | 74.6 (5) | C13—C12—H12B | 107.4 |
O3—Ag1—Ag13i | 94.8 (6) | H12A—C12—H12B | 106.9 |
Ag2—Ag1—Ag13i | 88.00 (8) | C6—C13—C12 | 113 (3) |
Ag4—Ag1—Ag13i | 157.77 (11) | C6—C13—H13A | 108.9 |
Ag3—Ag1—Ag13i | 116.52 (10) | C12—C13—H13A | 108.9 |
Ag12i—Ag1—Ag13i | 55.31 (7) | C6—C13—H13B | 108.9 |
Ag14i—Ag1—Ag13i | 55.76 (7) | C12—C13—H13B | 108.9 |
O7—Ag2—O5 | 97.3 (7) | H13A—C13—H13B | 107.8 |
O7—Ag2—C1 | 118.5 (9) | C15—C14—Ag10 | 145 (2) |
O5—Ag2—C1 | 97.5 (9) | C15—C14—Ag7 | 133 (2) |
O7—Ag2—C18i | 103.5 (9) | Ag10—C14—Ag7 | 81.3 (9) |
O5—Ag2—C18i | 115.3 (8) | C15—C14—Ag11 | 98.5 (19) |
C1—Ag2—C18i | 122.3 (9) | Ag10—C14—Ag11 | 84.2 (8) |
O7—Ag2—Ag1 | 139.7 (5) | Ag7—C14—Ag11 | 84.0 (9) |
O5—Ag2—Ag1 | 120.8 (5) | C15—C14—Ag9 | 78.8 (18) |
C1—Ag2—Ag1 | 49.0 (6) | Ag10—C14—Ag9 | 78.3 (8) |
C18i—Ag2—Ag1 | 73.3 (6) | Ag7—C14—Ag9 | 125.5 (11) |
O7—Ag2—Ag14i | 84.2 (6) | Ag11—C14—Ag9 | 141.9 (12) |
O5—Ag2—Ag14i | 161.1 (5) | C14—C15—C16 | 170 (3) |
C1—Ag2—Ag14i | 98.3 (6) | C14—C15—Ag9 | 72.2 (17) |
C18i—Ag2—Ag14i | 46.6 (6) | C16—C15—Ag9 | 112.1 (18) |
Ag1—Ag2—Ag14i | 64.23 (7) | C19—C16—C15 | 126 (2) |
O7—Ag2—Ag3 | 84.0 (5) | C19—C16—C17 | 121 (2) |
O5—Ag2—Ag3 | 137.5 (5) | C15—C16—C17 | 112 (2) |
C1—Ag2—Ag3 | 47.9 (7) | C18—C17—C16 | 161 (3) |
C18i—Ag2—Ag3 | 105.4 (6) | C17—C18—Ag14 | 127 (2) |
Ag1—Ag2—Ag3 | 59.57 (7) | C17—C18—Ag13 | 129 (2) |
Ag14i—Ag2—Ag3 | 61.39 (7) | Ag14—C18—Ag13 | 82.6 (8) |
O7—Ag2—Ag12i | 144.2 (5) | C17—C18—Ag12 | 98 (2) |
O5—Ag2—Ag12i | 79.8 (5) | Ag14—C18—Ag12 | 133.9 (12) |
C1—Ag2—Ag12i | 97.2 (7) | Ag13—C18—Ag12 | 78.3 (8) |
C18i—Ag2—Ag12i | 49.3 (6) | C17—C18—Ag2ii | 99.9 (19) |
Ag1—Ag2—Ag12i | 62.92 (7) | Ag14—C18—Ag2ii | 80.7 (8) |
Ag14i—Ag2—Ag12i | 87.96 (7) | Ag13—C18—Ag2ii | 128.1 (12) |
Ag3—Ag2—Ag12i | 122.02 (9) | Ag12—C18—Ag2ii | 79.0 (8) |
C1—Ag3—O9 | 139.8 (10) | C16—C19—C20 | 126 (3) |
C1—Ag3—O8 | 121.1 (8) | C16—C19—C26 | 115 (3) |
O9—Ag3—O8 | 93.2 (10) | C20—C19—C26 | 118 (3) |
C1—Ag3—O21 | 111.0 (8) | C19—C20—C21 | 120 (3) |
O9—Ag3—O21 | 85.8 (8) | C19—C20—H20A | 107.4 |
O8—Ag3—O21 | 92.2 (10) | C21—C20—H20A | 107.4 |
C1—Ag3—Ag1 | 48.5 (6) | C19—C20—H20B | 107.4 |
O9—Ag3—Ag1 | 98.4 (7) | C21—C20—H20B | 107.4 |
O8—Ag3—Ag1 | 118.7 (9) | H20A—C20—H20B | 106.9 |
O21—Ag3—Ag1 | 148.3 (5) | C20—C21—C22 | 111 (3) |
C1—Ag3—Ag2 | 50.5 (7) | C20—C21—H21A | 109.4 |
O9—Ag3—Ag2 | 137.8 (6) | C22—C21—H21A | 109.4 |
O8—Ag3—Ag2 | 73.9 (6) | C20—C21—H21B | 109.4 |
O21—Ag3—Ag2 | 133.6 (5) | C22—C21—H21B | 109.4 |
Ag1—Ag3—Ag2 | 57.80 (7) | H21A—C21—H21B | 108.0 |
C1—Ag3—Ag14i | 98.3 (7) | C23—C22—C21 | 128 (5) |
O9—Ag3—Ag14i | 79.5 (6) | C23—C22—H22A | 105.3 |
O8—Ag3—Ag14i | 60.9 (9) | C21—C22—H22A | 105.3 |
O21—Ag3—Ag14i | 148.0 (5) | C23—C22—H22B | 105.3 |
Ag1—Ag3—Ag14i | 62.70 (7) | C21—C22—H22B | 105.3 |
Ag2—Ag3—Ag14i | 59.01 (7) | H22A—C22—H22B | 106.0 |
O22—Ag4—C1 | 144.9 (9) | C22—C23—C24 | 111 (5) |
O22—Ag4—O23 | 93.2 (8) | C22—C23—H23A | 109.5 |
C1—Ag4—O23 | 116.3 (8) | C24—C23—H23A | 109.5 |
O22—Ag4—C2 | 139.0 (8) | C22—C23—H23B | 109.5 |
C1—Ag4—C2 | 29.3 (8) | C24—C23—H23B | 109.5 |
O23—Ag4—C2 | 94.6 (8) | H23A—C23—H23B | 108.1 |
O22—Ag4—Ag1 | 116.6 (6) | C23—C24—C25 | 122 (4) |
C1—Ag4—Ag1 | 48.2 (6) | C23—C24—H24A | 106.9 |
O23—Ag4—Ag1 | 143.1 (5) | C25—C24—H24A | 106.9 |
C2—Ag4—Ag1 | 77.5 (5) | C23—C24—H24B | 106.9 |
C5—Ag5—O15 | 168.4 (10) | C25—C24—H24B | 106.9 |
C5—Ag5—O24 | 95.0 (9) | H24A—C24—H24B | 106.7 |
O15—Ag5—O24 | 95.9 (7) | C26—C25—C24 | 112 (4) |
C5—Ag5—O22 | 106.3 (9) | C26—C25—H25A | 109.3 |
O15—Ag5—O22 | 78.9 (7) | C24—C25—H25A | 109.3 |
O24—Ag5—O22 | 83.1 (8) | C26—C25—H25B | 109.3 |
C5—Ag5—Ag8 | 48.8 (7) | C24—C25—H25B | 109.3 |
O15—Ag5—Ag8 | 121.9 (6) | H25A—C25—H25B | 107.9 |
O24—Ag5—Ag8 | 139.9 (5) | C25—C26—C19 | 118 (3) |
O22—Ag5—Ag8 | 91.0 (5) | C25—C26—H26A | 107.9 |
C5—Ag5—Ag7 | 48.3 (8) | C19—C26—H26A | 107.9 |
O15—Ag5—Ag7 | 124.1 (6) | C25—C26—H26B | 107.9 |
O24—Ag5—Ag7 | 106.6 (5) | C19—C26—H26B | 107.9 |
O22—Ag5—Ag7 | 152.6 (5) | H26A—C26—H26B | 107.2 |
Ag8—Ag5—Ag7 | 64.83 (7) | O21—S1—C48 | 105.9 (13) |
C5—Ag5—Ag6 | 53.3 (7) | O21—S1—C47 | 106.2 (14) |
O15—Ag5—Ag6 | 134.3 (6) | C48—S1—C47 | 103.1 (19) |
O24—Ag5—Ag6 | 48.3 (5) | S1—O21—Ag6 | 124.4 (10) |
O22—Ag5—Ag6 | 115.7 (5) | S1—O21—Ag3 | 111.5 (10) |
Ag8—Ag5—Ag6 | 101.77 (8) | Ag6—O21—Ag3 | 114.2 (8) |
Ag7—Ag5—Ag6 | 61.08 (7) | S1—C47—H47A | 109.5 |
C5—Ag5—Ag10 | 91.7 (8) | S1—C47—H47B | 109.5 |
O15—Ag5—Ag10 | 77.1 (5) | H47A—C47—H47B | 109.5 |
O24—Ag5—Ag10 | 146.4 (6) | S1—C47—H47C | 109.5 |
O22—Ag5—Ag10 | 126.3 (5) | H47A—C47—H47C | 109.5 |
Ag8—Ag5—Ag10 | 63.75 (7) | H47B—C47—H47C | 109.5 |
Ag7—Ag5—Ag10 | 56.01 (6) | S1—C48—H48A | 109.5 |
Ag6—Ag5—Ag10 | 115.45 (8) | S1—C48—H48B | 109.5 |
O17—Ag6—O24 | 142.5 (10) | H48A—C48—H48B | 109.5 |
O17—Ag6—O21 | 94.6 (8) | S1—C48—H48C | 109.5 |
O24—Ag6—O21 | 90.3 (7) | H48A—C48—H48C | 109.5 |
O17—Ag6—C5 | 117.1 (9) | H48B—C48—H48C | 109.5 |
O24—Ag6—C5 | 88.6 (8) | O22—S2—C49 | 105.2 (15) |
O21—Ag6—C5 | 126.3 (8) | O22—S2—C50 | 105 (2) |
O17—Ag6—C4 | 117.5 (9) | C49—S2—C50 | 99 (2) |
O24—Ag6—C4 | 98.6 (8) | S2—O22—Ag4 | 131.5 (13) |
O21—Ag6—C4 | 97.6 (8) | S2—O22—Ag5 | 117.4 (11) |
C5—Ag6—C4 | 30.2 (9) | Ag4—O22—Ag5 | 98.2 (8) |
O17—Ag6—Ag7 | 80.8 (6) | S2—C49—H49A | 109.5 |
O24—Ag6—Ag7 | 104.9 (5) | S2—C49—H49B | 109.5 |
O21—Ag6—Ag7 | 160.6 (5) | H49A—C49—H49B | 109.5 |
C5—Ag6—Ag7 | 44.2 (7) | S2—C49—H49C | 109.5 |
C4—Ag6—Ag7 | 68.7 (6) | H49A—C49—H49C | 109.5 |
O17—Ag6—Ag5 | 132.1 (7) | H49B—C49—H49C | 109.5 |
O24—Ag6—Ag5 | 52.3 (6) | S2—C50—H50A | 109.5 |
O21—Ag6—Ag5 | 133.2 (5) | S2—C50—H50B | 109.5 |
C5—Ag6—Ag5 | 42.1 (6) | H50A—C50—H50B | 109.5 |
C4—Ag6—Ag5 | 66.9 (6) | S2—C50—H50C | 109.5 |
Ag7—Ag6—Ag5 | 55.40 (6) | H50A—C50—H50C | 109.5 |
C5—Ag7—C14 | 122.3 (10) | H50B—C50—H50C | 109.5 |
C5—Ag7—O18 | 112.7 (9) | O23—S3—C52 | 104.6 (14) |
C14—Ag7—O18 | 107.7 (8) | O23—S3—C51 | 105.6 (13) |
C5—Ag7—O19 | 102.9 (9) | C52—S3—C51 | 101.8 (15) |
C14—Ag7—O19 | 115.6 (9) | S3—O23—Ag4 | 130.8 (12) |
O18—Ag7—O19 | 91.6 (10) | S3—C51—H51A | 109.5 |
C5—Ag7—Ag10 | 99.5 (7) | S3—C51—H51B | 109.5 |
C14—Ag7—Ag10 | 48.1 (7) | H51A—C51—H51B | 109.5 |
O18—Ag7—Ag10 | 147.7 (5) | S3—C51—H51C | 109.5 |
O19—Ag7—Ag10 | 84.0 (7) | H51A—C51—H51C | 109.5 |
C5—Ag7—Ag5 | 46.8 (7) | H51B—C51—H51C | 109.5 |
C14—Ag7—Ag5 | 112.3 (7) | S3—C52—H52A | 109.5 |
O18—Ag7—Ag5 | 139.8 (4) | S3—C52—H52B | 109.5 |
O19—Ag7—Ag5 | 67.3 (7) | H52A—C52—H52B | 109.5 |
Ag10—Ag7—Ag5 | 66.89 (7) | S3—C52—H52C | 109.5 |
C5—Ag7—Ag11 | 159.9 (7) | H52A—C52—H52C | 109.5 |
C14—Ag7—Ag11 | 49.1 (6) | H52B—C52—H52C | 109.5 |
O18—Ag7—Ag11 | 87.2 (5) | O24—S4—C53 | 107.6 (18) |
O19—Ag7—Ag11 | 72.4 (6) | O24—S4—C54 | 108.0 (17) |
Ag10—Ag7—Ag11 | 60.89 (7) | C53—S4—C54 | 98 (2) |
Ag5—Ag7—Ag11 | 115.66 (9) | S4—O24—Ag6 | 134.7 (15) |
C5—Ag7—Ag6 | 54.5 (7) | S4—O24—Ag5 | 135.8 (12) |
C14—Ag7—Ag6 | 175.7 (7) | Ag6—O24—Ag5 | 79.5 (7) |
O18—Ag7—Ag6 | 76.6 (4) | S4—C53—H53A | 109.5 |
O19—Ag7—Ag6 | 64.2 (6) | S4—C53—H53B | 109.5 |
Ag10—Ag7—Ag6 | 128.24 (9) | H53A—C53—H53B | 109.5 |
Ag5—Ag7—Ag6 | 63.51 (7) | S4—C53—H53C | 109.5 |
Ag11—Ag7—Ag6 | 132.76 (9) | H53A—C53—H53C | 109.5 |
C5—Ag7—Ag8 | 44.7 (7) | H53B—C53—H53C | 109.5 |
C14—Ag7—Ag8 | 77.9 (7) | S4—C54—H54A | 109.5 |
O18—Ag7—Ag8 | 139.1 (6) | S4—C54—H54B | 109.5 |
O19—Ag7—Ag8 | 123.3 (8) | H54A—C54—H54B | 109.5 |
Ag10—Ag7—Ag8 | 64.99 (7) | S4—C54—H54C | 109.5 |
Ag5—Ag7—Ag8 | 57.37 (7) | H54A—C54—H54C | 109.5 |
Ag11—Ag7—Ag8 | 121.05 (9) | H54B—C54—H54C | 109.5 |
Ag6—Ag7—Ag8 | 98.58 (8) | O25—S5—C55 | 104.2 (16) |
C5—Ag8—O11 | 131.8 (9) | O25—S5—C56 | 107.7 (11) |
C5—Ag8—O13 | 108.9 (10) | C55—S5—C56 | 96.8 (15) |
O11—Ag8—O13 | 117.8 (10) | S5—O25—Ag9 | 123.9 (10) |
C5—Ag8—Ag5 | 47.0 (7) | S5—C55—H55A | 109.5 |
O11—Ag8—Ag5 | 85.4 (6) | S5—C55—H55B | 109.5 |
O13—Ag8—Ag5 | 155.8 (7) | H55A—C55—H55B | 109.5 |
C5—Ag8—Ag7 | 44.5 (8) | S5—C55—H55C | 109.5 |
O11—Ag8—Ag7 | 122.4 (6) | H55A—C55—H55C | 109.5 |
O13—Ag8—Ag7 | 109.0 (8) | H55B—C55—H55C | 109.5 |
Ag5—Ag8—Ag7 | 57.81 (7) | S5—C56—H56A | 109.5 |
C5—Ag8—Ag9 | 127.1 (8) | S5—C56—H56B | 109.5 |
O11—Ag8—Ag9 | 76.0 (5) | H56A—C56—H56B | 109.5 |
O13—Ag8—Ag9 | 78.2 (6) | S5—C56—H56C | 109.5 |
Ag5—Ag8—Ag9 | 116.67 (9) | H56A—C56—H56C | 109.5 |
Ag7—Ag8—Ag9 | 82.96 (8) | H56B—C56—H56C | 109.5 |
C5—Ag8—Ag10 | 89.7 (8) | O26—S6—C58 | 105.3 (14) |
O11—Ag8—Ag10 | 70.5 (6) | O26—S6—C57 | 104.9 (16) |
O13—Ag8—Ag10 | 129.2 (6) | C58—S6—C57 | 98.3 (19) |
Ag5—Ag8—Ag10 | 62.54 (7) | S6—O26—Ag13 | 127.8 (11) |
Ag7—Ag8—Ag10 | 53.93 (6) | S6—O26—Ag10 | 110.3 (10) |
Ag9—Ag8—Ag10 | 54.15 (6) | Ag13—O26—Ag10 | 121.8 (9) |
O12—Ag9—O14 | 98.2 (9) | S6—C57—H57A | 109.5 |
O12—Ag9—O25 | 97.1 (7) | S6—C57—H57B | 109.5 |
O14—Ag9—O25 | 96.0 (7) | H57A—C57—H57B | 109.5 |
O12—Ag9—C14 | 129.1 (9) | S6—C57—H57C | 109.5 |
O14—Ag9—C14 | 115.0 (9) | H57A—C57—H57C | 109.5 |
O25—Ag9—C14 | 115.4 (8) | H57B—C57—H57C | 109.5 |
O12—Ag9—C15 | 156.0 (9) | S6—C58—H58A | 109.5 |
O14—Ag9—C15 | 102.8 (9) | S6—C58—H58B | 109.5 |
O25—Ag9—C15 | 92.2 (8) | H58A—C58—H58B | 109.5 |
C14—Ag9—C15 | 29.0 (9) | S6—C58—H58C | 109.5 |
O12—Ag9—Ag10 | 83.1 (6) | H58A—C58—H58C | 109.5 |
O14—Ag9—Ag10 | 139.6 (6) | H58B—C58—H58C | 109.5 |
O25—Ag9—Ag10 | 124.1 (5) | O27—S7—C60 | 104.9 (15) |
C14—Ag9—Ag10 | 46.5 (6) | O27—S7—C59 | 107.4 (18) |
C15—Ag9—Ag10 | 73.4 (6) | C60—S7—C59 | 96 (2) |
O12—Ag9—Ag8 | 77.7 (6) | S7—O27—Ag11 | 131.3 (13) |
O14—Ag9—Ag8 | 77.3 (6) | S7—O27—Ag13 | 118.1 (13) |
O25—Ag9—Ag8 | 170.7 (5) | Ag11—O27—Ag13 | 104.4 (7) |
C14—Ag9—Ag8 | 73.7 (6) | S7—C59—H59A | 109.5 |
C15—Ag9—Ag8 | 95.6 (6) | S7—C59—H59B | 109.5 |
Ag10—Ag9—Ag8 | 63.42 (7) | H59A—C59—H59B | 109.5 |
O16—Ag10—C14 | 172.1 (10) | S7—C59—H59C | 109.5 |
O16—Ag10—O26 | 80.2 (8) | H59A—C59—H59C | 109.5 |
C14—Ag10—O26 | 97.1 (8) | H59B—C59—H59C | 109.5 |
O16—Ag10—Ag7 | 129.8 (6) | S7—C60—H60A | 109.5 |
C14—Ag10—Ag7 | 50.7 (7) | S7—C60—H60B | 109.5 |
O26—Ag10—Ag7 | 145.3 (5) | H60A—C60—H60B | 109.5 |
O16—Ag10—Ag9 | 130.1 (7) | S7—C60—H60C | 109.5 |
C14—Ag10—Ag9 | 55.2 (7) | H60A—C60—H60C | 109.5 |
O26—Ag10—Ag9 | 74.1 (5) | H60B—C60—H60C | 109.5 |
Ag7—Ag10—Ag9 | 92.26 (8) | O28—S8—C62 | 102.0 (19) |
O16—Ag10—Ag11 | 122.0 (7) | O28—S8—C61 | 109 (2) |
C14—Ag10—Ag11 | 50.2 (7) | C62—S8—C61 | 99 (2) |
O26—Ag10—Ag11 | 87.7 (5) | S8—O28—Ag11 | 131.8 (16) |
Ag7—Ag10—Ag11 | 62.68 (7) | S8—O28—Ag14 | 121.6 (14) |
Ag9—Ag10—Ag11 | 99.13 (8) | Ag11—O28—Ag14 | 101.6 (9) |
O16—Ag10—Ag5 | 78.0 (6) | S8—C61—H61A | 109.5 |
C14—Ag10—Ag5 | 105.3 (7) | S8—C61—H61B | 109.5 |
O26—Ag10—Ag5 | 157.3 (5) | H61A—C61—H61B | 109.5 |
Ag7—Ag10—Ag5 | 57.10 (6) | S8—C61—H61C | 109.5 |
Ag9—Ag10—Ag5 | 116.13 (8) | H61A—C61—H61C | 109.5 |
Ag11—Ag10—Ag5 | 109.26 (8) | H61B—C61—H61C | 109.5 |
O16—Ag10—Ag8 | 111.0 (7) | S8—C62—H62A | 109.5 |
C14—Ag10—Ag8 | 76.5 (7) | S8—C62—H62B | 109.5 |
O26—Ag10—Ag8 | 131.1 (5) | H62A—C62—H62B | 109.5 |
Ag7—Ag10—Ag8 | 61.09 (7) | S8—C62—H62C | 109.5 |
Ag9—Ag10—Ag8 | 62.43 (7) | H62A—C62—H62C | 109.5 |
Ag11—Ag10—Ag8 | 119.13 (8) | H62B—C62—H62C | 109.5 |
Ag5—Ag10—Ag8 | 53.71 (6) | C27—O1—Ag1 | 119.0 (17) |
O20—Ag11—C14 | 131.0 (8) | C27—O2—Ag13i | 115.7 (18) |
O20—Ag11—O28 | 93.8 (9) | O2—C27—O1 | 134 (3) |
C14—Ag11—O28 | 121.9 (10) | O2—C27—C28 | 113 (2) |
O20—Ag11—O27 | 98.4 (9) | O1—C27—C28 | 112 (2) |
C14—Ag11—O27 | 117.6 (8) | F1—C28—F3 | 108.3 (15) |
O28—Ag11—O27 | 81.5 (9) | F1—C28—F2 | 107.6 (14) |
O20—Ag11—Ag10 | 107.4 (6) | F3—C28—F2 | 108.3 (15) |
C14—Ag11—Ag10 | 45.6 (6) | F1—C28—C27 | 111.2 (19) |
O28—Ag11—Ag10 | 158.2 (7) | F3—C28—C27 | 109 (2) |
O27—Ag11—Ag10 | 90.3 (5) | F2—C28—C27 | 112 (2) |
O20—Ag11—Ag7 | 84.5 (6) | C29—O3—Ag1 | 119 (2) |
C14—Ag11—Ag7 | 46.9 (6) | C29—O4—Ag12i | 120 (2) |
O28—Ag11—Ag7 | 132.9 (7) | O3—C29—O4 | 133 (3) |
O27—Ag11—Ag7 | 145.4 (5) | O3—C29—C30 | 114 (2) |
Ag10—Ag11—Ag7 | 56.43 (7) | O4—C29—C30 | 112 (3) |
O4ii—Ag12—O6ii | 99.4 (9) | F6—C30—F5 | 109.4 (15) |
O4ii—Ag12—C18 | 138.5 (9) | F6—C30—F4 | 109.5 (15) |
O6ii—Ag12—C18 | 120.5 (8) | F5—C30—F4 | 109.0 (14) |
O4ii—Ag12—Ag13 | 90.5 (7) | F6—C30—C29 | 108 (2) |
O6ii—Ag12—Ag13 | 169.5 (5) | F5—C30—C29 | 111 (2) |
C18—Ag12—Ag13 | 49.1 (6) | F4—C30—C29 | 110 (2) |
O4ii—Ag12—Ag2ii | 134.8 (6) | C31—O5—Ag2 | 125.3 (16) |
O6ii—Ag12—Ag2ii | 80.7 (5) | C31—O6—Ag12i | 126.0 (18) |
C18—Ag12—Ag2ii | 51.6 (6) | O6—C31—O5 | 127 (2) |
Ag13—Ag12—Ag2ii | 89.80 (8) | O6—C31—C32 | 119 (2) |
O4ii—Ag12—Ag1ii | 84.3 (6) | O5—C31—C32 | 114 (2) |
O6ii—Ag12—Ag1ii | 114.0 (5) | F8—C32—F9 | 108.7 (14) |
C18—Ag12—Ag1ii | 70.3 (6) | F8—C32—F7 | 108.6 (13) |
Ag13—Ag12—Ag1ii | 63.17 (7) | F9—C32—F7 | 108.0 (13) |
Ag2ii—Ag12—Ag1ii | 56.09 (6) | F8—C32—C31 | 109.8 (16) |
C18—Ag13—O2ii | 148.1 (9) | F9—C32—C31 | 109.2 (17) |
C18—Ag13—O26 | 119.6 (8) | F7—C32—C31 | 112.6 (17) |
O2ii—Ag13—O26 | 91.9 (7) | C33—O7—Ag2 | 118 (2) |
C18—Ag13—O27 | 95.8 (9) | C33—O8—Ag3 | 121 (2) |
O2ii—Ag13—O27 | 94.0 (8) | O7—C33—O8 | 129 (3) |
O26—Ag13—O27 | 80.1 (7) | O7—C33—C34 | 120 (3) |
C18—Ag13—Ag12 | 52.6 (7) | O8—C33—C34 | 110 (3) |
O2ii—Ag13—Ag12 | 115.3 (7) | F10—C34—F12 | 109.2 (16) |
O26—Ag13—Ag12 | 109.7 (6) | F10—C34—F11 | 108.0 (16) |
O27—Ag13—Ag12 | 148.1 (5) | F12—C34—F11 | 107.7 (16) |
C18—Ag13—Ag14 | 48.5 (7) | F10—C34—C33 | 110 (3) |
O2ii—Ag13—Ag14 | 111.4 (6) | F12—C34—C33 | 113 (3) |
O26—Ag13—Ag14 | 137.6 (5) | F11—C34—C33 | 109 (3) |
O27—Ag13—Ag14 | 64.0 (5) | C35—O9—Ag3 | 124.8 (19) |
Ag12—Ag13—Ag14 | 92.19 (8) | C35—O10—Ag14i | 127.6 (18) |
C18—Ag13—Ag1ii | 70.6 (7) | O9—C35—O10 | 128 (3) |
O2ii—Ag13—Ag1ii | 77.9 (6) | O9—C35—C36 | 115 (2) |
O26—Ag13—Ag1ii | 160.4 (5) | O10—C35—C36 | 117 (2) |
O27—Ag13—Ag1ii | 117.0 (5) | F13—C36—F14 | 108.7 (14) |
Ag12—Ag13—Ag1ii | 61.53 (7) | F13—C36—F15 | 108.0 (15) |
Ag14—Ag13—Ag1ii | 62.00 (7) | F14—C36—F15 | 107.4 (15) |
C18—Ag14—O10ii | 161.0 (9) | F13—C36—C35 | 115 (2) |
C18—Ag14—O28 | 93.3 (10) | F14—C36—C35 | 110 (2) |
O10ii—Ag14—O28 | 93.0 (9) | F15—C36—C35 | 107 (2) |
C18—Ag14—Ag13 | 49.0 (6) | C37—O11—Ag8 | 128 (2) |
O10ii—Ag14—Ag13 | 112.0 (7) | C37—O12—Ag9 | 126 (2) |
O28—Ag14—Ag13 | 107.3 (5) | O11—C37—O12 | 128 (3) |
C18—Ag14—Ag2ii | 52.7 (6) | O11—C37—C38 | 116 (2) |
O10ii—Ag14—Ag2ii | 138.2 (5) | O12—C37—C38 | 116 (2) |
O28—Ag14—Ag2ii | 114.9 (7) | F17—C38—F18 | 109.3 (15) |
Ag13—Ag14—Ag2ii | 89.65 (8) | F17—C38—F16 | 108.8 (15) |
C18—Ag14—Ag3ii | 109.5 (7) | F18—C38—F16 | 108.2 (15) |
O10ii—Ag14—Ag3ii | 78.6 (5) | F17—C38—C37 | 109.9 (19) |
O28—Ag14—Ag3ii | 133.2 (5) | F18—C38—C37 | 114 (2) |
Ag13—Ag14—Ag3ii | 118.58 (10) | F16—C38—C37 | 106.6 (19) |
Ag2ii—Ag14—Ag3ii | 59.60 (7) | C39—O13—Ag8 | 127.7 (19) |
C18—Ag14—Ag1ii | 70.9 (7) | C39—O14—Ag9 | 124 (2) |
O10ii—Ag14—Ag1ii | 101.9 (6) | O14—C39—O13 | 130 (3) |
O28—Ag14—Ag1ii | 164.2 (6) | O14—C39—C40 | 114 (3) |
Ag13—Ag14—Ag1ii | 62.24 (7) | O13—C39—C40 | 115 (2) |
Ag2ii—Ag14—Ag1ii | 55.96 (6) | F21—C40—F19 | 108.6 (15) |
Ag3ii—Ag14—Ag1ii | 56.44 (7) | F21—C40—F20 | 108.2 (15) |
C2—C1—Ag1 | 163 (2) | F19—C40—F20 | 107.2 (14) |
C2—C1—Ag3 | 102 (2) | F21—C40—C39 | 109 (2) |
Ag1—C1—Ag3 | 81.6 (9) | F19—C40—C39 | 112 (2) |
C2—C1—Ag2 | 118.8 (18) | F20—C40—C39 | 112 (2) |
Ag1—C1—Ag2 | 77.9 (8) | C41—O15—Ag5 | 125.8 (17) |
Ag3—C1—Ag2 | 81.6 (9) | C41—O16—Ag10 | 126.4 (19) |
C2—C1—Ag4 | 84.8 (17) | O15—C41—O16 | 131 (3) |
Ag1—C1—Ag4 | 79.1 (8) | O15—C41—C42 | 114 (2) |
Ag3—C1—Ag4 | 118.5 (11) | O16—C41—C42 | 115 (2) |
Ag2—C1—Ag4 | 146.6 (13) | F24—C42—F22 | 108.0 (14) |
C1—C2—C3 | 175 (2) | F24—C42—F23 | 108.1 (14) |
C1—C2—Ag4 | 65.9 (15) | F22—C42—F23 | 107.3 (14) |
C3—C2—Ag4 | 109.4 (16) | F24—C42—C41 | 110.5 (18) |
C4—C3—C2 | 112 (2) | F22—C42—C41 | 113.4 (18) |
C4—C3—C6 | 123 (2) | F23—C42—C41 | 109.4 (19) |
C2—C3—C6 | 124 (2) | C43—O17—Ag6 | 121 (2) |
C5—C4—C3 | 174 (3) | C43—O18—Ag7 | 123.9 (18) |
C5—C4—Ag6 | 70.1 (15) | O17—C43—O18 | 132 (3) |
C3—C4—Ag6 | 114.3 (18) | O17—C43—C44 | 115 (2) |
C4—C5—Ag5 | 135 (2) | O18—C43—C44 | 113 (2) |
C4—C5—Ag7 | 133.1 (19) | F26—C44—F25 | 109.0 (14) |
Ag5—C5—Ag7 | 84.9 (11) | F26—C44—F27 | 107.7 (14) |
C4—C5—Ag8 | 113.2 (18) | F25—C44—F27 | 107.7 (14) |
Ag5—C5—Ag8 | 84.2 (10) | F26—C44—C43 | 111.1 (19) |
Ag7—C5—Ag8 | 90.8 (12) | F25—C44—C43 | 107.0 (19) |
C4—C5—Ag6 | 79.7 (17) | F27—C44—C43 | 114.1 (19) |
Ag5—C5—Ag6 | 84.7 (8) | C45—O19—Ag7 | 118.4 (19) |
Ag7—C5—Ag6 | 81.3 (8) | C45—O20—Ag11 | 117.4 (17) |
Ag8—C5—Ag6 | 166.9 (14) | O19—C45—O20 | 132 (2) |
C13—C6—C3 | 121 (3) | O19—C45—C46 | 116 (2) |
C13—C6—C7 | 121 (3) | O20—C45—C46 | 111.6 (19) |
C3—C6—C7 | 118 (2) | F29—C46—F28 | 109.5 (14) |
C8—C7—C6 | 118 (3) | F29—C46—F30 | 108.5 (14) |
C8—C7—H7A | 107.8 | F28—C46—F30 | 108.3 (14) |
C6—C7—H7A | 107.8 | F29—C46—C45 | 111.4 (18) |
C8—C7—H7B | 107.8 | F28—C46—C45 | 109.8 (18) |
C6—C7—H7B | 107.8 | F30—C46—C45 | 109.3 (18) |
| | | |
Ag1—C1—C2—Ag4 | −17 (8) | Ag12i—O4—C29—O3 | 16 (6) |
Ag3—C1—C2—Ag4 | −118.1 (12) | Ag12i—O4—C29—C30 | −171.5 (16) |
Ag2—C1—C2—Ag4 | 155 (2) | O3—C29—C30—F6 | 63 (4) |
Ag4—C2—C3—C4 | 37 (3) | O4—C29—C30—F6 | −111 (3) |
Ag4—C2—C3—C6 | −142 (2) | O3—C29—C30—F5 | −176 (3) |
C2—C3—C4—Ag6 | 74 (2) | O4—C29—C30—F5 | 9 (3) |
C6—C3—C4—Ag6 | −108 (2) | O3—C29—C30—F4 | −56 (4) |
Ag6—C4—C5—Ag5 | −72 (2) | O4—C29—C30—F4 | 130 (3) |
Ag6—C4—C5—Ag7 | 68 (2) | Ag12i—O6—C31—O5 | −3 (4) |
Ag6—C4—C5—Ag8 | −177.4 (16) | Ag12i—O6—C31—C32 | 174.7 (14) |
C4—C3—C6—C13 | 172 (3) | Ag2—O5—C31—O6 | −5 (4) |
C2—C3—C6—C13 | −10 (4) | Ag2—O5—C31—C32 | 176.6 (13) |
C4—C3—C6—C7 | −4 (4) | O6—C31—C32—F8 | −62 (3) |
C2—C3—C6—C7 | 174 (3) | O5—C31—C32—F8 | 116 (2) |
C13—C6—C7—C8 | −37 (4) | O6—C31—C32—F9 | 57 (3) |
C3—C6—C7—C8 | 140 (3) | O5—C31—C32—F9 | −125 (2) |
C6—C7—C8—C9 | −70 (4) | O6—C31—C32—F7 | 177 (2) |
C7—C8—C9—C10 | 58 (5) | O5—C31—C32—F7 | −5 (3) |
C8—C9—C10—C11 | 47 (5) | Ag2—O7—C33—O8 | 6 (5) |
C9—C10—C11—C12 | −104 (5) | Ag2—O7—C33—C34 | −163 (2) |
C10—C11—C12—C13 | 69 (5) | Ag3—O8—C33—O7 | −39 (5) |
C3—C6—C13—C12 | −80 (4) | Ag3—O8—C33—C34 | 131 (3) |
C7—C6—C13—C12 | 97 (4) | O7—C33—C34—F10 | −7 (4) |
C11—C12—C13—C6 | −65 (5) | O8—C33—C34—F10 | −179 (3) |
Ag10—C14—C15—Ag9 | −49 (3) | O7—C33—C34—F12 | −130 (3) |
Ag7—C14—C15—Ag9 | 129 (2) | O8—C33—C34—F12 | 59 (3) |
Ag11—C14—C15—Ag9 | −141.4 (11) | O7—C33—C34—F11 | 111 (3) |
Ag9—C15—C16—C19 | −94 (3) | O8—C33—C34—F11 | −60 (3) |
Ag9—C15—C16—C17 | 88 (2) | Ag3—O9—C35—O10 | −2 (5) |
C19—C16—C17—C18 | −175 (9) | Ag3—O9—C35—C36 | −179.3 (18) |
C15—C16—C17—C18 | 3 (11) | Ag14i—O10—C35—O9 | −10 (5) |
C16—C17—C18—Ag14 | 83 (10) | Ag14i—O10—C35—C36 | 166.5 (18) |
C16—C17—C18—Ag13 | −30 (12) | O9—C35—C36—F13 | −9 (4) |
C16—C17—C18—Ag12 | −111 (10) | O10—C35—C36—F13 | 174 (3) |
C16—C17—C18—Ag2ii | 168 (9) | O9—C35—C36—F14 | −132 (3) |
C15—C16—C19—C20 | 174 (3) | O10—C35—C36—F14 | 50 (3) |
C17—C16—C19—C20 | −8 (5) | O9—C35—C36—F15 | 111 (3) |
C15—C16—C19—C26 | 3 (4) | O10—C35—C36—F15 | −66 (3) |
C17—C16—C19—C26 | −179 (3) | Ag8—O11—C37—O12 | −14 (5) |
C16—C19—C20—C21 | 145 (3) | Ag8—O11—C37—C38 | 168.3 (16) |
C26—C19—C20—C21 | −45 (4) | Ag9—O12—C37—O11 | −8 (5) |
C19—C20—C21—C22 | −55 (4) | Ag9—O12—C37—C38 | 169.5 (15) |
C20—C21—C22—C23 | 55 (6) | O11—C37—C38—F17 | 47 (3) |
C21—C22—C23—C24 | 43 (7) | O12—C37—C38—F17 | −131 (3) |
C22—C23—C24—C25 | −100 (6) | O11—C37—C38—F18 | 170 (2) |
C23—C24—C25—C26 | 67 (6) | O12—C37—C38—F18 | −8 (3) |
C24—C25—C26—C19 | −62 (4) | O11—C37—C38—F16 | −71 (3) |
C16—C19—C26—C25 | −81 (4) | O12—C37—C38—F16 | 112 (3) |
C20—C19—C26—C25 | 107 (4) | Ag9—O14—C39—O13 | 14 (5) |
C48—S1—O21—Ag6 | 31 (2) | Ag9—O14—C39—C40 | −171.4 (18) |
C47—S1—O21—Ag6 | −78.3 (19) | Ag8—O13—C39—O14 | 1 (6) |
C48—S1—O21—Ag3 | −112.7 (16) | Ag8—O13—C39—C40 | −173.2 (19) |
C47—S1—O21—Ag3 | 138.1 (15) | O14—C39—C40—F21 | 98 (3) |
C49—S2—O22—Ag4 | −14 (2) | O13—C39—C40—F21 | −87 (3) |
C50—S2—O22—Ag4 | 90 (3) | O14—C39—C40—F19 | −142 (3) |
C49—S2—O22—Ag5 | 118.3 (16) | O13—C39—C40—F19 | 33 (4) |
C50—S2—O22—Ag5 | −138 (2) | O14—C39—C40—F20 | −22 (4) |
C52—S3—O23—Ag4 | −76 (2) | O13—C39—C40—F20 | 154 (3) |
C51—S3—O23—Ag4 | 31 (2) | Ag5—O15—C41—O16 | −14 (5) |
C53—S4—O24—Ag6 | 101 (2) | Ag5—O15—C41—C42 | 174.4 (16) |
C54—S4—O24—Ag6 | −154 (2) | Ag10—O16—C41—O15 | 0 (5) |
C53—S4—O24—Ag5 | −29 (3) | Ag10—O16—C41—C42 | 171.4 (17) |
C54—S4—O24—Ag5 | 76 (2) | O15—C41—C42—F24 | −47 (3) |
C55—S5—O25—Ag9 | −70.3 (16) | O16—C41—C42—F24 | 140 (3) |
C56—S5—O25—Ag9 | 31.7 (16) | O15—C41—C42—F22 | −169 (2) |
C58—S6—O26—Ag13 | −68 (2) | O16—C41—C42—F22 | 19 (3) |
C57—S6—O26—Ag13 | 36 (2) | O15—C41—C42—F23 | 72 (3) |
C58—S6—O26—Ag10 | 114.7 (15) | O16—C41—C42—F23 | −101 (3) |
C57—S6—O26—Ag10 | −142.1 (17) | Ag6—O17—C43—O18 | 17 (5) |
C60—S7—O27—Ag11 | −39 (2) | Ag6—O17—C43—C44 | −158.4 (17) |
C59—S7—O27—Ag11 | 62 (2) | Ag7—O18—C43—O17 | 6 (5) |
C60—S7—O27—Ag13 | 108.4 (19) | Ag7—O18—C43—C44 | −177.7 (14) |
C59—S7—O27—Ag13 | −150.3 (18) | O17—C43—C44—F26 | 43 (3) |
C62—S8—O28—Ag11 | 47 (3) | O18—C43—C44—F26 | −133 (2) |
C61—S8—O28—Ag11 | −57 (3) | O17—C43—C44—F25 | −75 (3) |
C62—S8—O28—Ag14 | −163 (2) | O18—C43—C44—F25 | 108 (2) |
C61—S8—O28—Ag14 | 93 (2) | O17—C43—C44—F27 | 165 (2) |
Ag13i—O2—C27—O1 | 11 (5) | O18—C43—C44—F27 | −11 (3) |
Ag13i—O2—C27—C28 | −158.2 (17) | Ag7—O19—C45—O20 | 37 (5) |
Ag1—O1—C27—O2 | 30 (5) | Ag7—O19—C45—C46 | −149.5 (16) |
Ag1—O1—C27—C28 | −160.0 (16) | Ag11—O20—C45—O19 | −4 (5) |
O2—C27—C28—F1 | −5 (3) | Ag11—O20—C45—C46 | −177.1 (14) |
O1—C27—C28—F1 | −177 (2) | O19—C45—C46—F29 | 150 (3) |
O2—C27—C28—F3 | −125 (3) | O20—C45—C46—F29 | −36 (3) |
O1—C27—C28—F3 | 63 (3) | O19—C45—C46—F28 | 28 (3) |
O2—C27—C28—F2 | 115 (3) | O20—C45—C46—F28 | −157 (2) |
O1—C27—C28—F2 | −57 (3) | O19—C45—C46—F30 | −90 (3) |
Ag1—O3—C29—O4 | −36 (6) | O20—C45—C46—F30 | 84 (3) |
Ag1—O3—C29—C30 | 151.5 (18) | | |
Symmetry codes: (i) x−1, y−1, z−1; (ii) x+1, y+1, z+1. |
Crystal data top
7(Ag+)·(C10H82−)·5(C2F3O2−)·2(H2O) | Z = 4 |
Mr = 1484.39 | F(000) = 2768 |
Monoclinic, C2/c | Dx = 2.864 Mg m−3 |
a = 23.394 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 13.9512 (12) Å | µ = 4.03 mm−1 |
c = 10.7920 (9) Å | T = 173 K |
β = 102.214 (1)° | Block, colourless |
V = 3442.5 (5) Å3 | 0.50 × 0.50 × 0.40 mm |
Data collection top
Bruker APEX-II CCD diffractometer | 2897 reflections with I > 2σ(I) |
φ and ω scan | Rint = 0.087 |
Absorption correction: multi-scan SADABS (Bruker, 2003) | θmax = 25.3°, θmin = 1.7° |
Tmin = 0.238, Tmax = 0.295 | h = −28→28 |
30572 measured reflections | k = −16→16 |
3109 independent reflections | l = −12→12 |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.047 | Hydrogen site location: mixed |
wR(F2) = 0.125 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0768P)2 + 33.6886P] where P = (Fo2 + 2Fc2)/3 |
3109 reflections | (Δ/σ)max = 0.001 |
264 parameters | Δρmax = 1.26 e Å−3 |
78 restraints | Δρmin = −1.77 e Å−3 |
Crystal data top
7(Ag+)·(C10H82−)·5(C2F3O2−)·2(H2O) | V = 3442.5 (5) Å3 |
Mr = 1484.39 | Z = 4 |
Monoclinic, C2/c | Mo Kα radiation |
a = 23.394 (2) Å | µ = 4.03 mm−1 |
b = 13.9512 (12) Å | T = 173 K |
c = 10.7920 (9) Å | 0.50 × 0.50 × 0.40 mm |
β = 102.214 (1)° | |
Data collection top
Bruker APEX-II CCD diffractometer | 3109 independent reflections |
Absorption correction: multi-scan SADABS (Bruker, 2003) | 2897 reflections with I > 2σ(I) |
Tmin = 0.238, Tmax = 0.295 | Rint = 0.087 |
30572 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.047 | 78 restraints |
wR(F2) = 0.125 | H-atom parameters constrained |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0768P)2 + 33.6886P] where P = (Fo2 + 2Fc2)/3 |
3109 reflections | Δρmax = 1.26 e Å−3 |
264 parameters | Δρmin = −1.77 e Å−3 |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag1 | 0.37163 (2) | 0.07147 (3) | 0.68599 (5) | 0.03003 (18) | |
Ag2 | 0.32516 (2) | 0.20816 (4) | 0.50198 (5) | 0.03480 (19) | |
Ag3 | 0.42235 (2) | 0.07770 (3) | 0.47735 (5) | 0.02865 (18) | |
Ag4 | 0.49357 (9) | 0.11845 (6) | 0.77319 (16) | 0.0284 (4) | 0.5 |
C1 | 0.4190 (3) | 0.1923 (4) | 0.6088 (6) | 0.0232 (12) | |
C2 | 0.4473 (2) | 0.2606 (4) | 0.6565 (5) | 0.0192 (11) | |
C3 | 0.4754 (2) | 0.3485 (4) | 0.7045 (5) | 0.0191 (11) | |
C4 | 0.4452 (3) | 0.4398 (5) | 0.6504 (8) | 0.0366 (16) | |
H4A | 0.4380 | 0.4373 | 0.5566 | 0.044* | |
H4B | 0.4069 | 0.4447 | 0.6749 | 0.044* | |
C5 | 0.4808 (6) | 0.5258 (7) | 0.6961 (14) | 0.095 (4) | |
H5A | 0.5021 | 0.5434 | 0.6293 | 0.114* | |
H5B | 0.4530 | 0.5786 | 0.7006 | 0.114* | |
O1 | 0.2769 (2) | 0.0418 (4) | 0.6968 (5) | 0.0379 (12) | |
O2 | 0.23691 (18) | 0.1606 (3) | 0.5673 (4) | 0.0264 (9) | |
C6 | 0.2363 (3) | 0.0940 (4) | 0.6448 (6) | 0.0235 (12) | |
C7 | 0.1773 (3) | 0.0700 (4) | 0.6810 (6) | 0.0347 (16) | |
F1 | 0.13862 (18) | 0.1399 (3) | 0.6533 (5) | 0.0562 (13) | |
F2 | 0.1845 (2) | 0.0524 (5) | 0.8030 (5) | 0.0684 (16) | |
F3 | 0.1536 (2) | −0.0062 (3) | 0.6191 (5) | 0.0598 (13) | |
O3 | 0.3679 (2) | −0.0952 (3) | 0.6017 (4) | 0.0337 (11) | |
O4 | 0.3928 (2) | −0.0740 (3) | 0.4154 (4) | 0.0306 (10) | |
C8 | 0.3726 (3) | −0.1204 (5) | 0.4959 (6) | 0.0277 (14) | |
C9 | 0.3527 (3) | −0.2236 (5) | 0.4548 (6) | 0.049 (2) | |
F4 | 0.3091 (4) | −0.2224 (5) | 0.3602 (8) | 0.159 (5) | |
F5 | 0.3406 (3) | −0.2758 (4) | 0.5456 (5) | 0.0707 (17) | |
F6 | 0.3951 (4) | −0.2703 (5) | 0.4163 (9) | 0.137 (4) | |
O5 | 0.4813 (2) | 0.0444 (3) | 0.3346 (4) | 0.0289 (10) | |
C10 | 0.5000 | 0.0852 (6) | 0.2500 | 0.0236 (18) | |
C11 | 0.5000 | 0.1974 (6) | 0.2500 | 0.046 (3) | |
F7 | 0.5495 (3) | 0.2353 (7) | 0.2783 (12) | 0.061 (3) | 0.5 |
F8 | 0.4800 (4) | 0.2240 (6) | 0.1214 (6) | 0.050 (2) | 0.5 |
F9 | 0.4600 (4) | 0.2350 (7) | 0.2986 (9) | 0.048 (3) | 0.5 |
O1W | 0.3089 (3) | 0.1396 (4) | 0.2956 (6) | 0.0619 (19) | |
H1W | 0.2990 | 0.0812 | 0.2993 | 0.093* | |
H2W | 0.3400 | 0.1434 | 0.2671 | 0.093* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0342 (3) | 0.0305 (3) | 0.0279 (3) | 0.00341 (19) | 0.0121 (2) | 0.01018 (18) |
Ag2 | 0.0205 (3) | 0.0332 (3) | 0.0470 (4) | 0.00385 (19) | −0.0012 (2) | 0.0172 (2) |
Ag3 | 0.0362 (3) | 0.0239 (3) | 0.0296 (3) | −0.00335 (18) | 0.0155 (2) | −0.00848 (18) |
Ag4 | 0.0236 (9) | 0.0121 (4) | 0.0417 (13) | −0.0021 (4) | −0.0106 (6) | 0.0028 (4) |
C1 | 0.026 (3) | 0.015 (3) | 0.026 (3) | 0.004 (2) | −0.001 (2) | −0.001 (2) |
C2 | 0.019 (3) | 0.017 (3) | 0.020 (3) | 0.008 (2) | 0.001 (2) | 0.002 (2) |
C3 | 0.024 (3) | 0.012 (3) | 0.022 (3) | 0.001 (2) | 0.006 (2) | 0.000 (2) |
C4 | 0.038 (4) | 0.017 (3) | 0.050 (4) | 0.011 (3) | −0.004 (3) | 0.004 (3) |
C5 | 0.105 (7) | 0.030 (4) | 0.122 (8) | 0.005 (5) | −0.042 (6) | 0.010 (5) |
O1 | 0.027 (2) | 0.033 (3) | 0.054 (3) | 0.007 (2) | 0.008 (2) | 0.024 (2) |
O2 | 0.023 (2) | 0.024 (2) | 0.033 (2) | 0.0064 (17) | 0.0060 (17) | 0.0121 (18) |
C6 | 0.022 (3) | 0.021 (3) | 0.027 (3) | 0.000 (2) | 0.006 (2) | 0.002 (2) |
C7 | 0.028 (3) | 0.035 (4) | 0.043 (4) | 0.001 (3) | 0.012 (3) | 0.011 (3) |
F1 | 0.031 (2) | 0.051 (3) | 0.094 (4) | 0.015 (2) | 0.031 (2) | 0.023 (3) |
F2 | 0.051 (3) | 0.106 (4) | 0.055 (3) | −0.001 (3) | 0.025 (2) | 0.030 (3) |
F3 | 0.041 (3) | 0.045 (3) | 0.093 (4) | −0.014 (2) | 0.013 (2) | −0.007 (3) |
O3 | 0.057 (3) | 0.021 (2) | 0.028 (2) | −0.003 (2) | 0.020 (2) | −0.0012 (19) |
O4 | 0.049 (3) | 0.021 (2) | 0.023 (2) | −0.0114 (19) | 0.010 (2) | −0.0026 (16) |
C8 | 0.034 (3) | 0.022 (3) | 0.027 (3) | −0.006 (3) | 0.007 (3) | −0.001 (2) |
C9 | 0.089 (7) | 0.034 (4) | 0.026 (4) | −0.030 (4) | 0.017 (4) | −0.007 (3) |
F4 | 0.233 (10) | 0.070 (5) | 0.121 (6) | −0.096 (6) | −0.085 (7) | 0.025 (4) |
F5 | 0.118 (5) | 0.038 (3) | 0.062 (3) | −0.035 (3) | 0.034 (3) | 0.005 (2) |
F6 | 0.237 (10) | 0.047 (4) | 0.174 (8) | −0.040 (5) | 0.150 (8) | −0.046 (4) |
O5 | 0.035 (2) | 0.022 (2) | 0.036 (2) | 0.0009 (19) | 0.021 (2) | 0.0015 (19) |
C10 | 0.023 (4) | 0.013 (4) | 0.038 (5) | 0.000 | 0.015 (4) | 0.000 |
C11 | 0.047 (7) | 0.018 (5) | 0.079 (9) | 0.000 | 0.028 (6) | 0.000 |
F7 | 0.052 (5) | 0.027 (4) | 0.093 (7) | −0.011 (4) | −0.011 (6) | −0.001 (6) |
F8 | 0.074 (6) | 0.024 (4) | 0.056 (5) | 0.000 (4) | 0.026 (5) | 0.016 (4) |
F9 | 0.071 (6) | 0.027 (4) | 0.056 (5) | 0.021 (4) | 0.036 (5) | 0.002 (4) |
O1W | 0.106 (5) | 0.045 (3) | 0.047 (3) | −0.030 (3) | 0.045 (4) | −0.026 (3) |
Geometric parameters (Å, º) top
Ag1—C1 | 2.270 (6) | C5—C5ii | 1.31 (2) |
Ag1—O1 | 2.282 (5) | C5—H5A | 0.9900 |
Ag1—O4i | 2.420 (5) | C5—H5B | 0.9900 |
Ag1—O3 | 2.491 (5) | O1—C6 | 1.234 (8) |
Ag1—Ag3 | 2.7597 (7) | O2—C6 | 1.251 (7) |
Ag1—Ag2 | 2.8015 (7) | O2—Ag2iii | 2.359 (4) |
Ag1—Ag4 | 2.884 (2) | C6—C7 | 1.548 (8) |
Ag1—Ag4ii | 3.1592 (19) | C7—F2 | 1.315 (7) |
Ag2—C1 | 2.264 (6) | C7—F3 | 1.315 (7) |
Ag2—O2iii | 2.359 (4) | C7—F1 | 1.320 (6) |
Ag2—O1W | 2.379 (5) | O3—C8 | 1.222 (8) |
Ag2—O2 | 2.412 (4) | O4—C8 | 1.254 (8) |
Ag2—Ag3 | 2.9680 (7) | O4—Ag1iv | 2.420 (5) |
Ag3—C1 | 2.150 (6) | C8—C9 | 1.549 (9) |
Ag3—O4 | 2.281 (4) | C9—F4 | 1.282 (8) |
Ag3—O5 | 2.321 (4) | C9—F5 | 1.299 (7) |
Ag3—Ag4ii | 3.033 (2) | C9—F6 | 1.325 (8) |
Ag3—Ag4 | 3.323 (2) | O5—C10 | 1.233 (6) |
Ag4—Ag4ii | 0.636 (2) | O5—Ag4iv | 2.401 (5) |
Ag4—O5i | 2.401 (5) | C10—O5v | 1.233 (6) |
Ag4—C1ii | 2.401 (6) | C10—C11 | 1.566 (11) |
Ag4—C1 | 2.438 (6) | C11—F7v | 1.250 (7) |
Ag4—C2ii | 2.445 (5) | C11—F7 | 1.250 (7) |
Ag4—C2 | 2.473 (6) | C11—F9v | 1.278 (7) |
Ag4—Ag3ii | 3.033 (2) | C11—F9 | 1.278 (7) |
Ag4—Ag1ii | 3.1592 (19) | C11—F8v | 1.417 (7) |
C1—C2 | 1.212 (9) | C11—F8 | 1.417 (7) |
C1—Ag4ii | 2.401 (6) | F7—F9v | 0.812 (12) |
C2—C3 | 1.435 (8) | F7—F8v | 1.412 (14) |
C2—Ag4ii | 2.445 (5) | F8—F7v | 1.412 (14) |
C3—C3ii | 1.345 (12) | F8—F9v | 1.491 (13) |
C3—C4 | 1.513 (8) | F9—F7v | 0.812 (12) |
C4—C5 | 1.484 (13) | F9—F8v | 1.491 (13) |
C4—H4A | 0.9900 | O1W—H1W | 0.8503 |
C4—H4B | 0.9900 | O1W—H2W | 0.8493 |
| | | |
C1—Ag1—O1 | 135.09 (19) | C2—Ag4—Ag3 | 64.63 (14) |
C1—Ag1—O4i | 110.76 (19) | Ag1—Ag4—Ag3 | 52.22 (4) |
O1—Ag1—O4i | 86.65 (18) | Ag3ii—Ag4—Ag3 | 156.91 (4) |
C1—Ag1—O3 | 122.78 (18) | Ag1ii—Ag4—Ag3 | 112.41 (3) |
O1—Ag1—O3 | 83.65 (19) | C2—C1—Ag3 | 140.5 (5) |
O4i—Ag1—O3 | 111.76 (15) | C2—C1—Ag2 | 121.6 (4) |
C1—Ag1—Ag3 | 49.45 (15) | Ag3—C1—Ag2 | 84.5 (2) |
O1—Ag1—Ag3 | 129.58 (14) | C2—C1—Ag1 | 134.0 (5) |
O4i—Ag1—Ag3 | 143.50 (13) | Ag3—C1—Ag1 | 77.22 (19) |
O3—Ag1—Ag3 | 73.71 (10) | Ag2—C1—Ag1 | 76.33 (19) |
C1—Ag1—Ag2 | 51.74 (15) | C2—C1—Ag4ii | 77.6 (4) |
O1—Ag1—Ag2 | 85.65 (11) | Ag3—C1—Ag4ii | 83.38 (19) |
O4i—Ag1—Ag2 | 132.86 (10) | Ag2—C1—Ag4ii | 159.6 (3) |
O3—Ag1—Ag2 | 113.45 (11) | Ag1—C1—Ag4ii | 85.07 (19) |
Ag3—Ag1—Ag2 | 64.505 (19) | C2—C1—Ag4 | 77.3 (4) |
C1—Ag1—Ag4 | 54.91 (15) | Ag3—C1—Ag4 | 92.6 (2) |
O1—Ag1—Ag4 | 158.29 (14) | Ag2—C1—Ag4 | 151.6 (3) |
O4i—Ag1—Ag4 | 71.85 (13) | Ag1—C1—Ag4 | 75.46 (18) |
O3—Ag1—Ag4 | 106.70 (13) | Ag4ii—C1—Ag4 | 15.09 (6) |
Ag3—Ag1—Ag4 | 72.11 (3) | C1—C2—C3 | 173.2 (6) |
Ag2—Ag1—Ag4 | 106.58 (3) | C1—C2—Ag4ii | 73.5 (4) |
C1—Ag1—Ag4ii | 49.22 (15) | C3—C2—Ag4ii | 113.2 (4) |
O1—Ag1—Ag4ii | 169.20 (14) | C1—C2—Ag4 | 74.1 (4) |
O4i—Ag1—Ag4ii | 82.65 (13) | C3—C2—Ag4 | 112.5 (4) |
O3—Ag1—Ag4ii | 101.64 (13) | Ag4ii—C2—Ag4 | 14.85 (6) |
Ag3—Ag1—Ag4ii | 61.21 (3) | C3ii—C3—C2 | 121.3 (3) |
Ag2—Ag1—Ag4ii | 100.59 (3) | C3ii—C3—C4 | 122.6 (4) |
Ag4—Ag1—Ag4ii | 10.91 (5) | C2—C3—C4 | 116.0 (5) |
C1—Ag2—O2iii | 134.67 (18) | C5—C4—C3 | 111.7 (7) |
C1—Ag2—O1W | 112.5 (2) | C5—C4—H4A | 109.3 |
O2iii—Ag2—O1W | 92.8 (2) | C3—C4—H4A | 109.3 |
C1—Ag2—O2 | 128.44 (19) | C5—C4—H4B | 109.3 |
O2iii—Ag2—O2 | 78.39 (16) | C3—C4—H4B | 109.3 |
O1W—Ag2—O2 | 100.7 (2) | H4A—C4—H4B | 107.9 |
C1—Ag2—Ag1 | 51.93 (15) | C5ii—C5—C4 | 121.7 (9) |
O2iii—Ag2—Ag1 | 150.92 (11) | C5ii—C5—H5A | 106.9 |
O1W—Ag2—Ag1 | 110.54 (17) | C4—C5—H5A | 106.9 |
O2—Ag2—Ag1 | 80.39 (10) | C5ii—C5—H5B | 106.9 |
C1—Ag2—Ag3 | 46.15 (15) | C4—C5—H5B | 106.9 |
O2iii—Ag2—Ag3 | 151.61 (11) | H5A—C5—H5B | 106.7 |
O1W—Ag2—Ag3 | 69.10 (19) | C6—O1—Ag1 | 122.2 (4) |
O2—Ag2—Ag3 | 125.22 (10) | C6—O2—Ag2iii | 134.0 (4) |
Ag1—Ag2—Ag3 | 57.066 (17) | C6—O2—Ag2 | 122.1 (4) |
C1—Ag3—O4 | 146.3 (2) | Ag2iii—O2—Ag2 | 101.61 (16) |
C1—Ag3—O5 | 134.2 (2) | O1—C6—O2 | 128.7 (6) |
O4—Ag3—O5 | 78.78 (17) | O1—C6—C7 | 113.5 (5) |
C1—Ag3—Ag1 | 53.33 (17) | O2—C6—C7 | 117.8 (5) |
O4—Ag3—Ag1 | 93.11 (12) | F2—C7—F3 | 107.9 (5) |
O5—Ag3—Ag1 | 162.44 (12) | F2—C7—F1 | 107.5 (5) |
C1—Ag3—Ag2 | 49.39 (16) | F3—C7—F1 | 106.7 (5) |
O4—Ag3—Ag2 | 113.87 (13) | F2—C7—C6 | 111.2 (5) |
O5—Ag3—Ag2 | 139.11 (12) | F3—C7—C6 | 110.4 (5) |
Ag1—Ag3—Ag2 | 58.429 (17) | F1—C7—C6 | 112.8 (5) |
C1—Ag3—Ag4ii | 51.85 (16) | C8—O3—Ag1 | 127.4 (4) |
O4—Ag3—Ag4ii | 122.23 (12) | C8—O4—Ag3 | 114.3 (4) |
O5—Ag3—Ag4ii | 105.18 (12) | C8—O4—Ag1iv | 133.7 (4) |
Ag1—Ag3—Ag4ii | 65.90 (3) | Ag3—O4—Ag1iv | 105.69 (17) |
Ag2—Ag3—Ag4ii | 99.83 (3) | O3—C8—O4 | 128.4 (6) |
C1—Ag3—Ag4 | 47.12 (15) | O3—C8—C9 | 117.0 (6) |
O4—Ag3—Ag4 | 119.97 (12) | O4—C8—C9 | 114.6 (5) |
O5—Ag3—Ag4 | 115.12 (12) | F4—C9—F5 | 110.1 (6) |
Ag1—Ag3—Ag4 | 55.68 (3) | F4—C9—F6 | 106.2 (7) |
Ag2—Ag3—Ag4 | 92.68 (3) | F5—C9—F6 | 105.0 (6) |
Ag4ii—Ag3—Ag4 | 10.24 (5) | F4—C9—C8 | 110.8 (6) |
Ag4ii—Ag4—O5i | 108.75 (11) | F5—C9—C8 | 113.9 (5) |
Ag4ii—Ag4—C1ii | 85.7 (4) | F6—C9—C8 | 110.4 (6) |
O5i—Ag4—C1ii | 113.45 (19) | C10—O5—Ag3 | 138.9 (4) |
Ag4ii—Ag4—C1 | 79.2 (4) | C10—O5—Ag4iv | 98.7 (4) |
O5i—Ag4—C1 | 119.5 (2) | Ag3—O5—Ag4iv | 119.69 (19) |
C1ii—Ag4—C1 | 127.1 (3) | O5v—C10—O5 | 125.0 (8) |
Ag4ii—Ag4—C2ii | 85.0 (3) | O5v—C10—C11 | 117.5 (4) |
O5i—Ag4—C2ii | 140.8 (2) | O5—C10—C11 | 117.5 (4) |
C1ii—Ag4—C2ii | 28.9 (2) | F7v—C11—F7 | 130.1 (12) |
C1—Ag4—C2ii | 98.85 (19) | F7v—C11—F9v | 116.6 (7) |
Ag4ii—Ag4—C2 | 80.1 (3) | F7—C11—F9v | 37.5 (5) |
O5i—Ag4—C2 | 146.6 (2) | F7v—C11—F9 | 37.5 (5) |
C1ii—Ag4—C2 | 99.08 (19) | F7—C11—F9 | 116.6 (7) |
C1—Ag4—C2 | 28.6 (2) | F9v—C11—F9 | 131.6 (11) |
C2ii—Ag4—C2 | 70.4 (3) | F7v—C11—F8v | 103.0 (6) |
Ag4ii—Ag4—Ag1 | 110.1 (4) | F7—C11—F8v | 63.5 (6) |
O5i—Ag4—Ag1 | 72.97 (12) | F9v—C11—F8v | 100.2 (6) |
C1ii—Ag4—Ag1 | 160.66 (15) | F9—C11—F8v | 67.0 (6) |
C1—Ag4—Ag1 | 49.63 (15) | F7v—C11—F8 | 63.5 (6) |
C2ii—Ag4—Ag1 | 137.83 (15) | F7—C11—F8 | 103.0 (6) |
C2—Ag4—Ag1 | 73.74 (15) | F9v—C11—F8 | 67.0 (6) |
Ag4ii—Ag4—Ag3ii | 111.9 (4) | F9—C11—F8 | 100.2 (6) |
O5i—Ag4—Ag3ii | 70.77 (12) | F8v—C11—F8 | 149.7 (9) |
C1ii—Ag4—Ag3ii | 44.77 (14) | F7v—C11—C10 | 115.0 (6) |
C1—Ag4—Ag3ii | 162.75 (14) | F7—C11—C10 | 115.0 (6) |
C2ii—Ag4—Ag3ii | 70.04 (14) | F9v—C11—C10 | 114.2 (6) |
C2—Ag4—Ag3ii | 137.24 (14) | F9—C11—C10 | 114.2 (6) |
Ag1—Ag4—Ag3ii | 131.15 (4) | F8v—C11—C10 | 105.1 (5) |
Ag4ii—Ag4—Ag1ii | 59.0 (4) | F8—C11—C10 | 105.2 (5) |
O5i—Ag4—Ag1ii | 86.53 (12) | F9v—F7—C11 | 73.1 (8) |
C1ii—Ag4—Ag1ii | 45.71 (15) | F9v—F7—F8v | 135.2 (12) |
C1—Ag4—Ag1ii | 136.79 (15) | C11—F7—F8v | 64.0 (5) |
C2ii—Ag4—Ag1ii | 69.06 (15) | F7v—F8—C11 | 52.5 (4) |
C2—Ag4—Ag1ii | 123.63 (14) | F7v—F8—F9v | 95.6 (6) |
Ag1—Ag4—Ag1ii | 152.58 (4) | C11—F8—F9v | 52.0 (4) |
Ag3ii—Ag4—Ag1ii | 52.88 (4) | F7v—F9—C11 | 69.5 (8) |
Ag4ii—Ag4—Ag3 | 57.9 (4) | F7v—F9—F8v | 127.8 (12) |
O5i—Ag4—Ag3 | 92.20 (12) | C11—F9—F8v | 61.0 (5) |
C1ii—Ag4—Ag3 | 141.31 (15) | Ag2—O1W—H1W | 109.4 |
C1—Ag4—Ag3 | 40.27 (14) | Ag2—O1W—H2W | 109.5 |
C2ii—Ag4—Ag3 | 124.94 (14) | H1W—O1W—H2W | 109.8 |
| | | |
Ag3—C1—C2—Ag4ii | −63.0 (6) | O5v—C10—C11—F7v | 110.0 (7) |
Ag2—C1—C2—Ag4ii | 172.4 (5) | O5—C10—C11—F7v | −70.0 (7) |
Ag1—C1—C2—Ag4ii | 70.4 (5) | O5v—C10—C11—F7 | −70.0 (7) |
Ag4—C1—C2—Ag4ii | 15.46 (6) | O5—C10—C11—F7 | 110.0 (7) |
Ag3—C1—C2—Ag4 | −78.5 (6) | O5v—C10—C11—F9v | −28.6 (6) |
Ag2—C1—C2—Ag4 | 156.9 (5) | O5—C10—C11—F9v | 151.4 (6) |
Ag1—C1—C2—Ag4 | 55.0 (5) | O5v—C10—C11—F9 | 151.4 (6) |
Ag4ii—C1—C2—Ag4 | −15.46 (6) | O5—C10—C11—F9 | −28.6 (6) |
Ag4ii—C2—C3—C3ii | −10.5 (9) | O5v—C10—C11—F8v | −137.5 (5) |
Ag4—C2—C3—C3ii | 5.6 (9) | O5—C10—C11—F8v | 42.5 (5) |
Ag4ii—C2—C3—C4 | 171.7 (5) | O5v—C10—C11—F8 | 42.5 (5) |
Ag4—C2—C3—C4 | −172.2 (5) | O5—C10—C11—F8 | −137.5 (5) |
C3ii—C3—C4—C5 | 8.1 (13) | F7v—C11—F7—F9v | −82.2 (12) |
C2—C3—C4—C5 | −174.1 (9) | F9—C11—F7—F9v | −124.6 (15) |
C3—C4—C5—C5ii | −25 (3) | F8v—C11—F7—F9v | −167.0 (15) |
Ag1—O1—C6—O2 | 10.3 (10) | F8—C11—F7—F9v | −16.0 (14) |
Ag1—O1—C6—C7 | −171.1 (4) | C10—C11—F7—F9v | 97.8 (12) |
Ag2iii—O2—C6—O1 | −161.3 (5) | F7v—C11—F7—F8v | 84.8 (5) |
Ag2—O2—C6—O1 | −1.9 (10) | F9v—C11—F7—F8v | 167.0 (15) |
Ag2iii—O2—C6—C7 | 20.2 (9) | F9—C11—F7—F8v | 42.5 (7) |
Ag2—O2—C6—C7 | 179.5 (4) | F8—C11—F7—F8v | 151.0 (9) |
O1—C6—C7—F2 | 42.2 (8) | C10—C11—F7—F8v | −95.2 (5) |
O2—C6—C7—F2 | −139.0 (6) | F7—C11—F8—F7v | −128.5 (12) |
O1—C6—C7—F3 | −77.5 (7) | F9v—C11—F8—F7v | −139.0 (8) |
O2—C6—C7—F3 | 101.3 (7) | F9—C11—F8—F7v | −8.0 (9) |
O1—C6—C7—F1 | 163.2 (6) | F8v—C11—F8—F7v | −69.3 (6) |
O2—C6—C7—F1 | −18.1 (8) | C10—C11—F8—F7v | 110.7 (6) |
Ag1—O3—C8—O4 | 17.3 (11) | F7v—C11—F8—F9v | 139.0 (8) |
Ag1—O3—C8—C9 | −164.3 (5) | F7—C11—F8—F9v | 10.5 (9) |
Ag3—O4—C8—O3 | −1.3 (10) | F9—C11—F8—F9v | 131.0 (11) |
Ag1iv—O4—C8—O3 | −148.5 (6) | F8v—C11—F8—F9v | 69.7 (6) |
Ag3—O4—C8—C9 | −179.7 (4) | C10—C11—F8—F9v | −110.3 (6) |
Ag1iv—O4—C8—C9 | 33.1 (9) | F7—C11—F9—F7v | 122.0 (15) |
O3—C8—C9—F4 | 116.0 (8) | F9v—C11—F9—F7v | 80.0 (12) |
O4—C8—C9—F4 | −65.4 (9) | F8v—C11—F9—F7v | 163.1 (15) |
O3—C8—C9—F5 | −8.8 (10) | F8—C11—F9—F7v | 11.8 (14) |
O4—C8—C9—F5 | 169.8 (7) | C10—C11—F9—F7v | −100.0 (12) |
O3—C8—C9—F6 | −126.7 (8) | F7v—C11—F9—F8v | −163.1 (15) |
O4—C8—C9—F6 | 51.9 (9) | F7—C11—F9—F8v | −41.0 (7) |
Ag3—O5—C10—O5v | −160.0 (6) | F9v—C11—F9—F8v | −83.1 (5) |
Ag4iv—O5—C10—O5v | −0.60 (6) | F8—C11—F9—F8v | −151.3 (9) |
Ag3—O5—C10—C11 | 20.0 (6) | C10—C11—F9—F8v | 96.9 (5) |
Ag4iv—O5—C10—C11 | 179.40 (6) | | |
Symmetry codes: (i) x, −y, z+1/2; (ii) −x+1, y, −z+3/2; (iii) −x+1/2, −y+1/2, −z+1; (iv) x, −y, z−1/2; (v) −x+1, y, −z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W···O1iv | 0.85 | 2.05 | 2.786 (7) | 144.8 |
O1W—H2W···O3iv | 0.85 | 2.13 | 2.808 (7) | 136.0 |
Symmetry code: (iv) x, −y, z−1/2. |
Crystal data top
9(Ag+)·C10H82−·9(C2F3O2−)·C5H5N·2(C5H6N+) | Z = 2 |
Mr = 2355.49 | F(000) = 2224 |
Monoclinic, P21 | Dx = 2.518 Mg m−3 |
a = 8.9453 (9) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 24.902 (3) Å | µ = 2.93 mm−1 |
c = 14.4248 (16) Å | T = 173 K |
β = 105.016 (2)° | Block, yellow |
V = 3103.5 (6) Å3 | 0.50 × 0.50 × 0.40 mm |
Data collection top
Bruker APEX-II CCD diffractometer | 10668 reflections with I > 2σ(I) |
φ and ω scan | Rint = 0.077 |
Absorption correction: multi-scan SADABS (Bruker, 2003) | θmax = 25.3°, θmin = 1.7° |
Tmin = 0.323, Tmax = 0.388 | h = −10→10 |
68475 measured reflections | k = −29→29 |
11211 independent reflections | l = −17→17 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.036 | H-atom parameters constrained |
wR(F2) = 0.098 | w = 1/[σ2(Fo2) + (0.0648P)2 + 2.1022P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
11211 reflections | Δρmax = 1.39 e Å−3 |
873 parameters | Δρmin = −0.71 e Å−3 |
283 restraints | Absolute structure: Refined as an inversion twin. |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.48 (4) |
Crystal data top
9(Ag+)·C10H82−·9(C2F3O2−)·C5H5N·2(C5H6N+) | V = 3103.5 (6) Å3 |
Mr = 2355.49 | Z = 2 |
Monoclinic, P21 | Mo Kα radiation |
a = 8.9453 (9) Å | µ = 2.93 mm−1 |
b = 24.902 (3) Å | T = 173 K |
c = 14.4248 (16) Å | 0.50 × 0.50 × 0.40 mm |
β = 105.016 (2)° | |
Data collection top
Bruker APEX-II CCD diffractometer | 11211 independent reflections |
Absorption correction: multi-scan SADABS (Bruker, 2003) | 10668 reflections with I > 2σ(I) |
Tmin = 0.323, Tmax = 0.388 | Rint = 0.077 |
68475 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.036 | H-atom parameters constrained |
wR(F2) = 0.098 | Δρmax = 1.39 e Å−3 |
S = 1.03 | Δρmin = −0.71 e Å−3 |
11211 reflections | Absolute structure: Refined as an inversion twin. |
873 parameters | Absolute structure parameter: 0.48 (4) |
283 restraints | |
Special details top
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes. |
Refinement. Refined as a 2-component inversion twin. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag1 | 0.26306 (8) | 0.51006 (3) | 0.29525 (5) | 0.02586 (16) | |
Ag2 | 0.08014 (8) | 0.41637 (3) | 0.32873 (5) | 0.02328 (16) | |
Ag3 | 0.32482 (8) | 0.46660 (4) | 0.48591 (5) | 0.03095 (18) | |
Ag4 | 0.59817 (8) | 0.47469 (3) | 0.37339 (5) | 0.02662 (17) | |
Ag5 | 0.31599 (9) | 0.41789 (4) | 0.17934 (5) | 0.03128 (19) | |
Ag6 | 0.66712 (10) | 0.43281 (3) | 0.18543 (6) | 0.03162 (19) | |
Ag7 | 0.88279 (9) | 0.51015 (3) | 0.30338 (6) | 0.03278 (19) | |
Ag8 | 0.98831 (9) | 0.46345 (3) | 0.49325 (5) | 0.02847 (18) | |
Ag9 | 0.7961 (3) | 0.56467 (19) | 0.56632 (13) | 0.0576 (10) | 0.699 (11) |
N1 | 0.8037 (14) | 0.6264 (5) | 0.6766 (7) | 0.037 (3)* | 0.699 (11) |
C29 | 0.7333 (16) | 0.6171 (5) | 0.7505 (9) | 0.050 (5)* | 0.699 (11) |
H29 | 0.6752 | 0.5852 | 0.7508 | 0.060* | 0.699 (11) |
C30 | 0.748 (2) | 0.6545 (6) | 0.8239 (9) | 0.071 (7)* | 0.699 (11) |
H30 | 0.6998 | 0.6481 | 0.8743 | 0.085* | 0.699 (11) |
C31 | 0.833 (2) | 0.7012 (6) | 0.8234 (10) | 0.077 (7)* | 0.699 (11) |
H31 | 0.8430 | 0.7267 | 0.8736 | 0.093* | 0.699 (11) |
C32 | 0.9034 (19) | 0.7105 (5) | 0.7496 (11) | 0.070 (6)* | 0.699 (11) |
H32 | 0.9615 | 0.7424 | 0.7493 | 0.084* | 0.699 (11) |
C33 | 0.8888 (16) | 0.6731 (6) | 0.6762 (9) | 0.064 (6)* | 0.699 (11) |
H33 | 0.9369 | 0.6795 | 0.6257 | 0.076* | 0.699 (11) |
Ag9' | 0.8395 (8) | 0.5950 (4) | 0.5745 (4) | 0.057 (2) | 0.301 (11) |
N1' | 0.857 (3) | 0.6561 (10) | 0.6927 (14) | 0.038 (8)* | 0.301 (11) |
C29' | 0.798 (3) | 0.6385 (9) | 0.7676 (17) | 0.038 (9)* | 0.301 (11) |
H29' | 0.7547 | 0.6036 | 0.7655 | 0.046* | 0.301 (11) |
C30' | 0.804 (3) | 0.6719 (11) | 0.8455 (15) | 0.032 (8)* | 0.301 (11) |
H30' | 0.7633 | 0.6599 | 0.8967 | 0.038* | 0.301 (11) |
C31' | 0.868 (4) | 0.7230 (11) | 0.8485 (18) | 0.073 (16)* | 0.301 (11) |
H31' | 0.8710 | 0.7458 | 0.9018 | 0.087* | 0.301 (11) |
C32' | 0.926 (4) | 0.7406 (9) | 0.774 (2) | 0.057 (12)* | 0.301 (11) |
H32' | 0.9701 | 0.7755 | 0.7757 | 0.069* | 0.301 (11) |
C33' | 0.921 (3) | 0.7072 (11) | 0.6957 (17) | 0.038 (9)* | 0.301 (11) |
H33' | 0.9615 | 0.7192 | 0.6445 | 0.046* | 0.301 (11) |
O1 | 0.0746 (8) | 0.5761 (3) | 0.3373 (5) | 0.0266 (15) | |
O2 | −0.0314 (11) | 0.5810 (4) | 0.4587 (7) | 0.051 (2) | |
C11 | 0.0579 (12) | 0.5957 (4) | 0.4133 (7) | 0.027 (2) | |
C12 | 0.1602 (12) | 0.6451 (4) | 0.4505 (7) | 0.038 (3) | |
F1 | 0.1227 (12) | 0.6687 (4) | 0.5227 (6) | 0.079 (3) | |
F2 | 0.3054 (8) | 0.6311 (4) | 0.4778 (7) | 0.071 (3) | |
F3 | 0.1468 (13) | 0.6816 (3) | 0.3835 (5) | 0.081 (3) | |
O3 | 0.4124 (9) | 0.5863 (3) | 0.2861 (6) | 0.0349 (17) | |
O4 | 0.6178 (9) | 0.5615 (3) | 0.4048 (6) | 0.0350 (17) | |
C13 | 0.5287 (12) | 0.5947 (4) | 0.3494 (8) | 0.030 (2) | |
C14 | 0.5852 (11) | 0.6548 (4) | 0.3662 (7) | 0.038 (3) | |
F4 | 0.6157 (10) | 0.6668 (3) | 0.4573 (5) | 0.055 (2) | |
F5 | 0.4818 (9) | 0.6877 (3) | 0.3193 (7) | 0.071 (3) | |
F6 | 0.7134 (9) | 0.6615 (3) | 0.3393 (6) | 0.061 (2) | |
O5 | 0.0985 (9) | 0.5370 (3) | 0.1518 (5) | 0.0328 (17) | |
O6 | 0.1723 (8) | 0.4737 (3) | 0.0632 (5) | 0.0307 (15) | |
C15 | 0.0958 (11) | 0.5129 (5) | 0.0771 (7) | 0.028 (2) | |
C16 | −0.0235 (12) | 0.5347 (4) | −0.0121 (8) | 0.043 (3) | |
F7 | −0.1569 (9) | 0.5482 (4) | 0.0039 (6) | 0.072 (3) | |
F8 | −0.0587 (11) | 0.5009 (4) | −0.0842 (6) | 0.087 (4) | |
F9 | 0.0313 (10) | 0.5786 (4) | −0.0411 (8) | 0.095 (4) | |
O7 | 0.1234 (9) | 0.3402 (3) | 0.4288 (5) | 0.0319 (16) | |
O8 | 0.1889 (10) | 0.3929 (3) | 0.5593 (6) | 0.0378 (18) | |
C17 | 0.1676 (12) | 0.3491 (4) | 0.5164 (8) | 0.029 (2) | |
C18 | 0.2079 (13) | 0.2984 (4) | 0.5799 (8) | 0.046 (3) | |
F10 | 0.1291 (16) | 0.2565 (4) | 0.5444 (8) | 0.116 (6) | |
F11 | 0.1964 (18) | 0.3064 (4) | 0.6669 (6) | 0.122 (6) | |
F12 | 0.3542 (12) | 0.2865 (5) | 0.5896 (11) | 0.134 (6) | |
O9 | 0.3176 (12) | 0.5258 (4) | 0.5968 (7) | 0.051 (2) | |
O10 | 0.0871 (10) | 0.5094 (4) | 0.6282 (6) | 0.0443 (19) | |
C19 | 0.2194 (16) | 0.5309 (4) | 0.6422 (8) | 0.039 (3) | |
C20 | 0.2604 (13) | 0.5673 (4) | 0.7318 (7) | 0.044 (3) | |
F13 | 0.253 (2) | 0.6160 (4) | 0.7092 (7) | 0.191 (12) | |
F14 | 0.1732 (17) | 0.5596 (7) | 0.7926 (9) | 0.160 (8) | |
F15 | 0.3977 (14) | 0.5557 (6) | 0.7840 (9) | 0.146 (7) | |
O11 | 0.0437 (9) | 0.3753 (3) | 0.1802 (5) | 0.0342 (17) | |
O12 | −0.1369 (9) | 0.4324 (4) | 0.0999 (6) | 0.0414 (19) | |
C21 | −0.0549 (12) | 0.3909 (5) | 0.1083 (7) | 0.029 (2) | |
C22 | −0.0739 (11) | 0.3550 (5) | 0.0190 (7) | 0.043 (3) | |
F16 | 0.0321 (11) | 0.3654 (5) | −0.0255 (8) | 0.097 (4) | |
F17 | −0.0629 (17) | 0.3041 (4) | 0.0417 (7) | 0.108 (5) | |
F18 | −0.2087 (10) | 0.3599 (5) | −0.0426 (6) | 0.090 (4) | |
O13 | 0.3643 (13) | 0.3544 (6) | 0.0817 (10) | 0.080 (4) | |
O14 | 0.6198 (12) | 0.3490 (4) | 0.1223 (8) | 0.057 (3) | |
C23 | 0.4862 (15) | 0.3354 (5) | 0.0806 (9) | 0.038 (3) | |
C24 | 0.4756 (12) | 0.2843 (5) | 0.0166 (8) | 0.047 (3) | |
F19 | 0.4424 (15) | 0.2979 (4) | −0.0737 (6) | 0.097 (4) | |
F20 | 0.3681 (12) | 0.2510 (4) | 0.0270 (9) | 0.092 (4) | |
F21 | 0.6043 (11) | 0.2563 (4) | 0.0333 (9) | 0.099 (4) | |
O15 | 0.5360 (9) | 0.5063 (3) | 0.1190 (6) | 0.0369 (17) | |
O16 | 0.7191 (8) | 0.5649 (3) | 0.1932 (5) | 0.0320 (16) | |
C25 | 0.5966 (12) | 0.5522 (5) | 0.1358 (8) | 0.032 (2) | |
C26 | 0.5095 (11) | 0.5982 (4) | 0.0722 (7) | 0.035 (2) | |
F22 | 0.3589 (7) | 0.5906 (3) | 0.0480 (7) | 0.065 (2) | |
F23 | 0.5335 (10) | 0.6450 (3) | 0.1135 (6) | 0.062 (2) | |
F24 | 0.5541 (12) | 0.6000 (5) | −0.0073 (6) | 0.090 (4) | |
O17 | 0.5447 (14) | 0.4270 (5) | 0.5933 (9) | 0.074 (3)* | |
O18 | 0.7438 (12) | 0.4657 (7) | 0.5522 (6) | 0.073 (3) | |
C27 | 0.6832 (14) | 0.4330 (7) | 0.5936 (9) | 0.054 (4) | |
C28 | 0.7894 (19) | 0.3919 (7) | 0.6523 (12) | 0.093 (6)* | |
F25 | 0.7201 (16) | 0.3529 (7) | 0.6863 (13) | 0.197 (12) | |
F26 | 0.8809 (18) | 0.4142 (9) | 0.7292 (11) | 0.222 (13) | |
F27 | 0.8815 (16) | 0.3686 (8) | 0.6069 (10) | 0.208 (13) | |
C1 | 0.3506 (10) | 0.4309 (4) | 0.3512 (7) | 0.0225 (19) | |
C2 | 0.4353 (11) | 0.3925 (4) | 0.3448 (7) | 0.026 (2) | |
C3 | 0.5172 (11) | 0.3432 (4) | 0.3492 (7) | 0.023 (2) | |
C4 | 0.4246 (13) | 0.2919 (4) | 0.3431 (9) | 0.035 (2) | |
H4A | 0.3566 | 0.2879 | 0.2774 | 0.042* | |
H4B | 0.3581 | 0.2939 | 0.3882 | 0.042* | |
C5 | 0.5300 (15) | 0.2428 (4) | 0.3675 (9) | 0.038 (3) | |
H5A | 0.5791 | 0.2419 | 0.4374 | 0.045* | |
H5B | 0.4679 | 0.2096 | 0.3500 | 0.045* | |
C6 | 0.6532 (14) | 0.2451 (4) | 0.3133 (9) | 0.036 (2) | |
H6A | 0.6036 | 0.2477 | 0.2437 | 0.043* | |
H6B | 0.7150 | 0.2116 | 0.3248 | 0.043* | |
C7 | 0.7587 (13) | 0.2928 (4) | 0.3449 (9) | 0.035 (2) | |
H7A | 0.8217 | 0.2984 | 0.2985 | 0.042* | |
H7B | 0.8302 | 0.2850 | 0.4083 | 0.042* | |
C8 | 0.6694 (11) | 0.3438 (4) | 0.3518 (7) | 0.0229 (19) | |
C9 | 0.7474 (11) | 0.3925 (4) | 0.3508 (7) | 0.024 (2) | |
C10 | 0.8375 (11) | 0.4312 (4) | 0.3554 (7) | 0.0232 (19) | |
N2 | 0.0533 (15) | 0.6496 (4) | 0.1685 (7) | 0.046 (3) | |
H2 | 0.0657 | 0.6146 | 0.1662 | 0.056* | |
C34 | 0.1674 (18) | 0.6803 (7) | 0.1632 (10) | 0.058 (4) | |
H34A | 0.2632 | 0.6651 | 0.1597 | 0.070* | |
C35 | 0.148 (2) | 0.7362 (7) | 0.1625 (11) | 0.062 (4) | |
H35A | 0.2289 | 0.7598 | 0.1569 | 0.075* | |
C36 | 0.014 (2) | 0.7545 (6) | 0.1700 (11) | 0.058 (4) | |
H36A | −0.0018 | 0.7922 | 0.1701 | 0.070* | |
C37 | −0.0983 (17) | 0.7218 (7) | 0.1775 (11) | 0.056 (4) | |
H37A | −0.1938 | 0.7364 | 0.1832 | 0.067* | |
C38 | −0.0792 (16) | 0.6677 (6) | 0.1773 (10) | 0.048 (3) | |
H38A | −0.1593 | 0.6440 | 0.1832 | 0.058* | |
N3 | 0.4065 (15) | 0.4149 (6) | 0.7639 (8) | 0.052 (3) | 0.5 |
H3 | 0.4120 | 0.4025 | 0.7077 | 0.062* | 0.5 |
C42 | 0.3911 (13) | 0.4539 (5) | 0.9361 (7) | 0.038 (2) | 0.5 |
H42A | 0.3841 | 0.4670 | 0.9967 | 0.045* | 0.5 |
N3' | 0.3911 (13) | 0.4539 (5) | 0.9361 (7) | 0.038 (2) | 0.5 |
H3' | 0.3846 | 0.4661 | 0.9922 | 0.045* | 0.5 |
C42' | 0.4065 (15) | 0.4149 (6) | 0.7639 (8) | 0.052 (3) | 0.5 |
H42B | 0.4124 | 0.4024 | 0.7029 | 0.062* | 0.5 |
C39 | 0.2704 (14) | 0.4167 (6) | 0.7868 (8) | 0.043 (3) | |
H39 | 0.1798 | 0.4038 | 0.7423 | 0.051* | |
C40 | 0.5387 (16) | 0.4333 (7) | 0.8304 (10) | 0.054 (3) | |
H40A | 0.6360 | 0.4317 | 0.8155 | 0.064* | |
C41 | 0.5298 (16) | 0.4532 (6) | 0.9168 (9) | 0.050 (3) | |
H41A | 0.6192 | 0.4663 | 0.9621 | 0.060* | |
C43 | 0.2598 (15) | 0.4365 (6) | 0.8724 (9) | 0.044 (3) | |
H43A | 0.1628 | 0.4382 | 0.8875 | 0.053* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0254 (4) | 0.0218 (3) | 0.0285 (4) | 0.0007 (3) | 0.0037 (3) | 0.0018 (3) |
Ag2 | 0.0182 (3) | 0.0268 (4) | 0.0254 (3) | 0.0000 (3) | 0.0065 (3) | −0.0009 (3) |
Ag3 | 0.0253 (4) | 0.0437 (5) | 0.0234 (3) | −0.0007 (3) | 0.0056 (3) | −0.0023 (4) |
Ag4 | 0.0210 (3) | 0.0213 (4) | 0.0373 (4) | 0.0011 (3) | 0.0071 (3) | −0.0011 (3) |
Ag5 | 0.0292 (4) | 0.0388 (4) | 0.0259 (4) | 0.0091 (3) | 0.0071 (3) | 0.0000 (3) |
Ag6 | 0.0377 (4) | 0.0282 (4) | 0.0284 (4) | −0.0030 (3) | 0.0075 (3) | −0.0041 (3) |
Ag7 | 0.0265 (4) | 0.0235 (4) | 0.0436 (5) | −0.0036 (3) | 0.0007 (3) | 0.0059 (3) |
Ag8 | 0.0271 (4) | 0.0313 (4) | 0.0251 (3) | −0.0006 (3) | 0.0034 (3) | −0.0046 (3) |
Ag9 | 0.0605 (12) | 0.062 (2) | 0.0485 (9) | 0.0069 (13) | 0.0102 (8) | −0.0233 (9) |
Ag9' | 0.065 (3) | 0.061 (5) | 0.056 (3) | 0.006 (3) | 0.033 (2) | −0.005 (3) |
O1 | 0.024 (4) | 0.031 (4) | 0.025 (4) | −0.001 (3) | 0.007 (3) | −0.003 (3) |
O2 | 0.048 (5) | 0.063 (6) | 0.050 (5) | −0.005 (4) | 0.029 (4) | 0.000 (5) |
C11 | 0.024 (5) | 0.026 (5) | 0.027 (5) | 0.003 (4) | 0.002 (4) | −0.001 (4) |
C12 | 0.047 (6) | 0.028 (5) | 0.035 (5) | −0.007 (5) | 0.004 (5) | −0.001 (4) |
F1 | 0.110 (8) | 0.071 (6) | 0.064 (6) | −0.022 (6) | 0.038 (6) | −0.039 (5) |
F2 | 0.041 (5) | 0.062 (6) | 0.100 (7) | −0.019 (4) | −0.002 (4) | −0.005 (5) |
F3 | 0.140 (9) | 0.044 (5) | 0.046 (5) | −0.045 (6) | −0.001 (5) | 0.009 (4) |
O3 | 0.037 (4) | 0.027 (4) | 0.037 (4) | −0.007 (3) | 0.003 (4) | 0.004 (3) |
O4 | 0.032 (4) | 0.025 (4) | 0.043 (4) | 0.001 (3) | 0.002 (3) | −0.001 (3) |
C13 | 0.027 (5) | 0.025 (5) | 0.036 (5) | −0.001 (4) | 0.005 (4) | −0.002 (4) |
C14 | 0.032 (5) | 0.023 (5) | 0.054 (7) | 0.000 (4) | 0.001 (5) | −0.003 (5) |
F4 | 0.078 (6) | 0.041 (4) | 0.050 (4) | −0.014 (4) | 0.024 (4) | −0.021 (3) |
F5 | 0.061 (5) | 0.023 (4) | 0.104 (7) | −0.001 (4) | −0.026 (5) | 0.006 (4) |
F6 | 0.072 (6) | 0.038 (4) | 0.088 (6) | −0.027 (4) | 0.047 (5) | −0.015 (4) |
O5 | 0.033 (4) | 0.031 (4) | 0.030 (4) | 0.007 (3) | −0.001 (3) | −0.002 (3) |
O6 | 0.029 (4) | 0.035 (4) | 0.026 (3) | 0.006 (3) | 0.004 (3) | −0.002 (3) |
C15 | 0.022 (4) | 0.037 (5) | 0.024 (5) | 0.000 (4) | 0.007 (4) | 0.006 (4) |
C16 | 0.041 (6) | 0.051 (7) | 0.037 (6) | 0.012 (5) | 0.008 (5) | 0.003 (5) |
F7 | 0.051 (5) | 0.110 (8) | 0.050 (5) | 0.039 (5) | 0.003 (4) | 0.013 (5) |
F8 | 0.084 (7) | 0.109 (9) | 0.045 (5) | 0.040 (6) | −0.026 (4) | −0.029 (5) |
F9 | 0.065 (6) | 0.114 (9) | 0.086 (7) | −0.002 (6) | −0.014 (5) | 0.068 (7) |
O7 | 0.034 (4) | 0.031 (4) | 0.029 (4) | 0.001 (3) | 0.006 (3) | −0.003 (3) |
O8 | 0.044 (5) | 0.030 (4) | 0.041 (5) | 0.006 (3) | 0.015 (4) | 0.005 (3) |
C17 | 0.027 (5) | 0.029 (5) | 0.032 (5) | 0.004 (4) | 0.011 (4) | 0.006 (4) |
C18 | 0.058 (7) | 0.037 (6) | 0.041 (6) | 0.014 (6) | 0.010 (5) | 0.010 (5) |
F10 | 0.166 (13) | 0.043 (6) | 0.097 (9) | −0.032 (7) | −0.040 (8) | 0.035 (6) |
F11 | 0.249 (18) | 0.066 (7) | 0.059 (6) | 0.037 (9) | 0.054 (9) | 0.037 (6) |
F12 | 0.101 (9) | 0.109 (11) | 0.196 (16) | 0.073 (9) | 0.048 (10) | 0.094 (11) |
O9 | 0.061 (6) | 0.049 (6) | 0.042 (5) | −0.012 (4) | 0.012 (4) | −0.014 (4) |
O10 | 0.056 (5) | 0.045 (5) | 0.031 (4) | −0.003 (4) | 0.010 (4) | −0.008 (4) |
C19 | 0.059 (7) | 0.020 (5) | 0.033 (5) | 0.010 (5) | 0.004 (5) | −0.004 (4) |
C20 | 0.059 (7) | 0.036 (6) | 0.029 (5) | 0.017 (5) | −0.001 (5) | −0.005 (5) |
F13 | 0.45 (4) | 0.030 (5) | 0.050 (6) | −0.004 (10) | −0.017 (11) | −0.013 (5) |
F14 | 0.209 (19) | 0.191 (18) | 0.096 (10) | −0.075 (15) | 0.067 (11) | −0.104 (12) |
F15 | 0.137 (12) | 0.164 (14) | 0.089 (8) | 0.053 (11) | −0.054 (8) | −0.084 (9) |
O11 | 0.030 (4) | 0.041 (5) | 0.032 (4) | 0.000 (3) | 0.010 (3) | −0.009 (3) |
O12 | 0.029 (4) | 0.042 (5) | 0.057 (5) | −0.003 (4) | 0.018 (4) | 0.006 (4) |
C21 | 0.024 (5) | 0.037 (6) | 0.027 (5) | −0.004 (4) | 0.009 (4) | −0.008 (4) |
C22 | 0.038 (6) | 0.055 (7) | 0.033 (6) | 0.001 (5) | 0.005 (5) | −0.007 (5) |
F16 | 0.089 (7) | 0.129 (10) | 0.098 (8) | −0.053 (7) | 0.068 (6) | −0.077 (8) |
F17 | 0.188 (14) | 0.059 (7) | 0.063 (6) | −0.007 (8) | 0.006 (7) | −0.026 (5) |
F18 | 0.063 (6) | 0.147 (11) | 0.049 (5) | −0.002 (6) | −0.007 (4) | −0.038 (6) |
O13 | 0.051 (6) | 0.096 (9) | 0.086 (8) | 0.023 (6) | 0.007 (6) | −0.053 (7) |
O14 | 0.061 (6) | 0.044 (5) | 0.074 (7) | −0.017 (5) | 0.033 (5) | −0.031 (5) |
C23 | 0.044 (7) | 0.034 (6) | 0.037 (6) | 0.001 (5) | 0.014 (5) | −0.005 (5) |
C24 | 0.051 (7) | 0.045 (7) | 0.050 (7) | −0.012 (6) | 0.019 (5) | −0.015 (5) |
F19 | 0.180 (13) | 0.073 (7) | 0.043 (5) | −0.029 (8) | 0.037 (7) | −0.021 (5) |
F20 | 0.099 (8) | 0.077 (7) | 0.111 (9) | −0.049 (6) | 0.049 (7) | −0.034 (6) |
F21 | 0.084 (8) | 0.068 (7) | 0.143 (11) | 0.007 (6) | 0.028 (7) | −0.060 (7) |
O15 | 0.034 (4) | 0.029 (4) | 0.041 (4) | 0.001 (3) | −0.003 (3) | 0.003 (4) |
O16 | 0.026 (4) | 0.032 (4) | 0.034 (4) | 0.002 (3) | 0.000 (3) | 0.002 (3) |
C25 | 0.027 (5) | 0.034 (6) | 0.033 (5) | 0.003 (4) | 0.005 (4) | −0.003 (4) |
C26 | 0.038 (6) | 0.035 (6) | 0.031 (5) | 0.010 (5) | 0.004 (4) | 0.007 (4) |
F22 | 0.030 (4) | 0.060 (5) | 0.094 (7) | 0.011 (3) | −0.004 (4) | 0.022 (5) |
F23 | 0.068 (6) | 0.035 (4) | 0.072 (5) | 0.009 (4) | −0.002 (4) | 0.008 (4) |
F24 | 0.102 (8) | 0.130 (10) | 0.052 (5) | 0.059 (7) | 0.043 (5) | 0.040 (6) |
O18 | 0.053 (6) | 0.134 (11) | 0.031 (4) | 0.012 (7) | 0.010 (4) | −0.004 (6) |
C27 | 0.028 (5) | 0.098 (10) | 0.038 (6) | 0.006 (6) | 0.012 (5) | 0.012 (6) |
F25 | 0.101 (11) | 0.24 (2) | 0.27 (2) | 0.076 (13) | 0.097 (14) | 0.20 (2) |
F26 | 0.094 (11) | 0.43 (4) | 0.110 (12) | 0.031 (18) | −0.035 (9) | 0.07 (2) |
F27 | 0.136 (13) | 0.36 (3) | 0.175 (16) | 0.168 (18) | 0.121 (13) | 0.18 (2) |
C1 | 0.016 (4) | 0.025 (5) | 0.026 (4) | −0.003 (4) | 0.004 (3) | 0.004 (4) |
C2 | 0.018 (4) | 0.037 (5) | 0.023 (4) | −0.001 (4) | 0.007 (4) | 0.000 (4) |
C3 | 0.016 (4) | 0.026 (5) | 0.026 (5) | −0.003 (4) | 0.003 (4) | −0.001 (4) |
C4 | 0.027 (5) | 0.025 (5) | 0.054 (6) | −0.005 (4) | 0.014 (5) | −0.004 (5) |
C5 | 0.045 (6) | 0.020 (5) | 0.048 (6) | −0.007 (4) | 0.012 (5) | 0.004 (4) |
C6 | 0.034 (5) | 0.025 (5) | 0.049 (6) | 0.000 (4) | 0.010 (5) | −0.002 (5) |
C7 | 0.031 (5) | 0.021 (5) | 0.053 (6) | 0.004 (4) | 0.009 (5) | −0.001 (5) |
C8 | 0.023 (5) | 0.022 (5) | 0.023 (4) | −0.002 (4) | 0.005 (4) | 0.000 (4) |
C9 | 0.023 (5) | 0.028 (5) | 0.021 (4) | 0.006 (4) | 0.005 (4) | −0.005 (4) |
C10 | 0.019 (4) | 0.022 (5) | 0.029 (5) | 0.001 (4) | 0.007 (4) | −0.001 (4) |
N2 | 0.078 (8) | 0.025 (5) | 0.033 (5) | 0.013 (5) | 0.009 (5) | 0.001 (4) |
C34 | 0.052 (8) | 0.076 (9) | 0.048 (7) | 0.014 (7) | 0.015 (6) | 0.001 (7) |
C35 | 0.074 (9) | 0.056 (8) | 0.059 (8) | −0.028 (7) | 0.021 (7) | 0.009 (7) |
C36 | 0.087 (10) | 0.033 (6) | 0.051 (7) | 0.010 (6) | 0.011 (7) | 0.010 (5) |
C37 | 0.047 (7) | 0.061 (8) | 0.053 (7) | 0.014 (6) | 0.003 (6) | 0.007 (6) |
C38 | 0.047 (7) | 0.054 (7) | 0.045 (6) | −0.012 (6) | 0.014 (5) | 0.008 (6) |
N3 | 0.054 (6) | 0.064 (7) | 0.040 (5) | −0.002 (6) | 0.017 (5) | −0.013 (6) |
C42 | 0.043 (5) | 0.048 (6) | 0.021 (4) | 0.002 (5) | 0.008 (4) | −0.005 (4) |
N3' | 0.043 (5) | 0.048 (6) | 0.021 (4) | 0.002 (5) | 0.008 (4) | −0.005 (4) |
C42' | 0.054 (6) | 0.064 (7) | 0.040 (5) | −0.002 (6) | 0.017 (5) | −0.013 (6) |
C39 | 0.045 (6) | 0.045 (6) | 0.036 (5) | −0.002 (5) | 0.006 (5) | −0.003 (5) |
C40 | 0.040 (6) | 0.067 (8) | 0.055 (7) | 0.002 (6) | 0.014 (6) | −0.008 (6) |
C41 | 0.043 (6) | 0.070 (8) | 0.032 (5) | 0.005 (6) | 0.003 (5) | 0.003 (6) |
C43 | 0.040 (6) | 0.055 (7) | 0.038 (6) | 0.004 (5) | 0.009 (5) | 0.009 (5) |
Geometric parameters (Å, º) top
Ag1—C1 | 2.196 (10) | C14—F5 | 1.289 (10) |
Ag1—O5 | 2.306 (7) | C14—F4 | 1.306 (10) |
Ag1—O3 | 2.345 (7) | C14—F6 | 1.313 (10) |
Ag1—O1 | 2.538 (7) | O5—C15 | 1.229 (13) |
Ag1—Ag3 | 2.8728 (11) | O6—C15 | 1.237 (14) |
Ag1—Ag5 | 2.9494 (12) | C15—C16 | 1.542 (14) |
Ag1—Ag2 | 2.9603 (11) | C16—F9 | 1.309 (11) |
Ag1—Ag4 | 3.0466 (10) | C16—F8 | 1.311 (11) |
Ag2—O11 | 2.319 (7) | C16—F7 | 1.315 (11) |
Ag2—C10i | 2.330 (9) | O7—C17 | 1.242 (14) |
Ag2—O7 | 2.355 (8) | O8—C17 | 1.244 (14) |
Ag2—C1 | 2.384 (9) | O8—Ag8i | 2.516 (8) |
Ag2—Ag7i | 2.8929 (11) | C17—C18 | 1.547 (15) |
Ag2—Ag8i | 2.9481 (10) | C18—F10 | 1.289 (11) |
Ag2—Ag3 | 2.9874 (10) | C18—F11 | 1.300 (11) |
Ag3—O9 | 2.189 (9) | C18—F12 | 1.313 (11) |
Ag3—C1 | 2.202 (10) | O9—C19 | 1.231 (16) |
Ag3—O17 | 2.379 (13) | O10—C19 | 1.266 (17) |
Ag3—O8 | 2.577 (8) | O10—Ag8i | 2.233 (8) |
Ag3—Ag8i | 3.0405 (11) | C19—C20 | 1.544 (15) |
Ag3—Ag4 | 3.2727 (10) | C20—F13 | 1.251 (11) |
Ag4—O4 | 2.206 (8) | C20—F15 | 1.297 (11) |
Ag4—C1 | 2.414 (9) | C20—F14 | 1.330 (11) |
Ag4—C10 | 2.472 (9) | O11—C21 | 1.237 (14) |
Ag4—C2 | 2.484 (11) | O12—C21 | 1.255 (14) |
Ag4—C9 | 2.511 (10) | O12—Ag6i | 2.391 (7) |
Ag4—O18 | 2.581 (9) | C21—C22 | 1.541 (15) |
Ag4—Ag7 | 3.1006 (11) | C22—F16 | 1.302 (10) |
Ag4—Ag6 | 3.1120 (11) | C22—F18 | 1.304 (11) |
Ag5—O13 | 2.233 (10) | C22—F17 | 1.306 (11) |
Ag5—O6 | 2.297 (7) | O13—C23 | 1.192 (16) |
Ag5—C2 | 2.432 (10) | O14—C23 | 1.238 (16) |
Ag5—C1 | 2.439 (9) | C23—C24 | 1.560 (16) |
Ag5—Ag6 | 3.1414 (11) | C24—F19 | 1.303 (11) |
Ag6—O15 | 2.249 (8) | C24—F20 | 1.308 (11) |
Ag6—O14 | 2.274 (9) | C24—F21 | 1.314 (11) |
Ag6—O12ii | 2.391 (7) | O15—C25 | 1.261 (14) |
Ag6—C9 | 2.515 (10) | O16—C25 | 1.232 (13) |
Ag6—C10 | 2.530 (10) | C25—C26 | 1.547 (15) |
Ag6—Ag7 | 2.9368 (12) | C26—F23 | 1.300 (10) |
Ag7—C10 | 2.180 (10) | C26—F24 | 1.309 (10) |
Ag7—O16 | 2.308 (7) | C26—F22 | 1.315 (10) |
Ag7—O1ii | 2.333 (7) | O17—C27 | 1.247 (17) |
Ag7—Ag2ii | 2.8929 (11) | O18—C27 | 1.22 (2) |
Ag7—Ag8 | 2.8992 (12) | C27—C28 | 1.50 (2) |
Ag8—O10ii | 2.233 (8) | C28—F27 | 1.312 (13) |
Ag8—C10 | 2.242 (10) | C28—F25 | 1.313 (13) |
Ag8—O8ii | 2.516 (8) | C28—F26 | 1.318 (13) |
Ag8—O18 | 2.544 (10) | C1—C2 | 1.239 (14) |
Ag8—Ag2ii | 2.9480 (10) | C2—C3 | 1.421 (15) |
Ag8—Ag3ii | 3.0404 (11) | C3—C8 | 1.353 (14) |
Ag8—Ag9 | 3.371 (3) | C3—C4 | 1.513 (14) |
Ag9—N1 | 2.201 (10) | C4—C5 | 1.528 (16) |
Ag9—O4 | 2.460 (8) | C4—H4A | 0.9900 |
Ag9—O2ii | 2.490 (9) | C4—H4B | 0.9900 |
Ag9—O18 | 2.508 (17) | C5—C6 | 1.508 (17) |
N1—C29 | 1.3900 | C5—H5A | 0.9900 |
N1—C33 | 1.3900 | C5—H5B | 0.9900 |
C29—C30 | 1.3900 | C6—C7 | 1.513 (15) |
C29—H29 | 0.9500 | C6—H6A | 0.9900 |
C30—C31 | 1.3900 | C6—H6B | 0.9900 |
C30—H30 | 0.9500 | C7—C8 | 1.517 (14) |
C31—C32 | 1.3900 | C7—H7A | 0.9900 |
C31—H31 | 0.9500 | C7—H7B | 0.9900 |
C32—C33 | 1.3900 | C8—C9 | 1.400 (15) |
C32—H32 | 0.9500 | C9—C10 | 1.247 (14) |
C33—H33 | 0.9500 | C10—Ag2ii | 2.330 (9) |
Ag9'—N1' | 2.26 (2) | N2—C34 | 1.29 (2) |
Ag9'—O2ii | 2.291 (9) | N2—C38 | 1.304 (19) |
N1'—C29' | 1.3900 | N2—H2 | 0.8800 |
N1'—C33' | 1.3900 | C34—C35 | 1.40 (2) |
C29'—C30' | 1.3900 | C34—H34A | 0.9500 |
C29'—H29' | 0.9500 | C35—C36 | 1.31 (2) |
C30'—C31' | 1.3900 | C35—H35A | 0.9500 |
C30'—H30' | 0.9500 | C36—C37 | 1.32 (2) |
C31'—C32' | 1.3900 | C36—H36A | 0.9500 |
C31'—H31' | 0.9500 | C37—C38 | 1.36 (2) |
C32'—C33' | 1.3900 | C37—H37A | 0.9500 |
C32'—H32' | 0.9500 | C38—H38A | 0.9500 |
C33'—H33' | 0.9500 | N3—C39 | 1.343 (17) |
O1—C11 | 1.244 (13) | N3—C40 | 1.393 (19) |
O1—Ag7i | 2.333 (7) | N3—H3 | 0.8799 |
O2—C11 | 1.213 (14) | C42—C41 | 1.340 (18) |
O2—Ag9'i | 2.291 (9) | C42—C43 | 1.361 (17) |
O2—Ag9i | 2.490 (9) | C42—H42A | 0.9500 |
C11—C12 | 1.545 (15) | C39—C43 | 1.354 (18) |
C12—F2 | 1.304 (11) | C39—H39 | 0.9500 |
C12—F3 | 1.309 (10) | C40—C41 | 1.364 (19) |
C12—F1 | 1.312 (10) | C40—H40A | 0.9500 |
O3—C13 | 1.212 (14) | C41—H41A | 0.9501 |
O4—C13 | 1.276 (14) | C43—H43A | 0.9487 |
C13—C14 | 1.577 (15) | | |
| | | |
C1—Ag1—O5 | 132.4 (3) | C33—C32—H32 | 120.0 |
C1—Ag1—O3 | 126.4 (3) | C31—C32—H32 | 120.0 |
O5—Ag1—O3 | 87.4 (3) | C32—C33—N1 | 120.0 |
C1—Ag1—O1 | 133.6 (3) | C32—C33—H33 | 120.0 |
O5—Ag1—O1 | 73.5 (2) | N1—C33—H33 | 120.0 |
O3—Ag1—O1 | 85.0 (3) | N1'—Ag9'—O2ii | 134.6 (8) |
C1—Ag1—Ag3 | 49.3 (2) | C29'—N1'—C33' | 120.0 |
O5—Ag1—Ag3 | 152.6 (2) | C29'—N1'—Ag9' | 114.0 (13) |
O3—Ag1—Ag3 | 112.82 (19) | C33'—N1'—Ag9' | 126.0 (13) |
O1—Ag1—Ag3 | 89.44 (16) | N1'—C29'—C30' | 120.0 |
C1—Ag1—Ag5 | 54.2 (2) | N1'—C29'—H29' | 120.0 |
O5—Ag1—Ag5 | 82.93 (19) | C30'—C29'—H29' | 120.0 |
O3—Ag1—Ag5 | 114.9 (2) | C31'—C30'—C29' | 120.0 |
O1—Ag1—Ag5 | 148.60 (16) | C31'—C30'—H30' | 120.0 |
Ag3—Ag1—Ag5 | 103.31 (3) | C29'—C30'—H30' | 120.0 |
C1—Ag1—Ag2 | 52.6 (2) | C30'—C31'—C32' | 120.0 |
O5—Ag1—Ag2 | 97.1 (2) | C30'—C31'—H31' | 120.0 |
O3—Ag1—Ag2 | 173.9 (2) | C32'—C31'—H31' | 120.0 |
O1—Ag1—Ag2 | 92.41 (16) | C31'—C32'—C33' | 120.0 |
Ag3—Ag1—Ag2 | 61.59 (3) | C31'—C32'—H32' | 120.0 |
Ag5—Ag1—Ag2 | 69.87 (3) | C33'—C32'—H32' | 120.0 |
C1—Ag1—Ag4 | 51.8 (2) | C32'—C33'—N1' | 120.0 |
O5—Ag1—Ag4 | 139.0 (2) | C32'—C33'—H33' | 120.0 |
O3—Ag1—Ag4 | 74.6 (2) | N1'—C33'—H33' | 120.0 |
O1—Ag1—Ag4 | 138.57 (16) | C11—O1—Ag7i | 102.2 (6) |
Ag3—Ag1—Ag4 | 67.06 (3) | C11—O1—Ag1 | 134.7 (6) |
Ag5—Ag1—Ag4 | 72.40 (3 |