metal-organic compounds
Tetrakis(triphenylphosphane-κP)silver(I) trifluoroacetate ethanol monosolvate
aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia, and bChemistry Department, King Abdulaziz University, PO Box 80203 Jeddah, Saudi Arabia
*Correspondence e-mail: seikweng@um.edu.my
In the title solvated salt, [Ag(C18H15P)4](CF3CO2)·C2H5OH, the AgI atom is coordinated by four P atoms from triphenylphosphane ligands in a distorted tetrahedral geometry. The anion and solvent are engaged in weak O—H⋯O hydrogen bonds. Of the four triphenylphosphane ligands, two each have an equally disordered phenyl ring while the AgI atom is disordered over two positions in a 0.9595 (15):0.0405 (15) ratio and the trifluoroacetate anion is equally disordered over two positions with respect to the lattice ethanol molecule.
Experimental
Crystal data
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Refinement
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Data collection: APEX2 (Bruker, 2009); cell SAINT (Bruker, 2009); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).
Supporting information
10.1107/S1600536812045060/xu5640sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536812045060/xu5640Isup2.hkl
Silver trifluoroacetate (1 mmol) and triphenylphosphane (4 mmol) were heated in ethanol (25 ml) until the reactants dissolved completely. Colorless crystals were isolated from the filtered solution after several days.
Carbon-bound H-atoms were placed in calculated positions (C—H 0.95 to 0.98 Å) and were included in the
in the riding model approximation, with U(H) set to 1.2 to 1.5U(C).The silver atom is disordered over two positions in a 0.960 (2): 0.040 ratio. The minor component atom could not be refined anisotropically, and its temperature factor was instead tied to the equivalent isotropic temperature factor of the major component by a factor of one. Neglecting the minor component resulted in largest peaks in vicinity of Ag1.
The trifluoroacetate ion is disordered over two positions; as the occupancy refined to nearly 50%, the disorder was then fixed as a 1:1 type of disorder. The C–O distances were restrained to 1.25±0.01 Å, the C–C distances to 1.50±0.01 Å and the C–F distances to 1.35±0.01 Å. Additionally, the O···O distances were restrained to 2.17±0.01 Å and the F···F distances to 2.21±0.01 Å.
Both half-occupancy trifluoroacetate portions are each hydrogen bonded to a half-occupancy ethanol molecule. For the ethanol molecules, the C–O distance were restrained to 1.45±0.01 Å and the C–C distances to 1.50±0.01 Å. The H atoms were placed in riding positions (O–H 0.84 Å) and their temperature factors tied by a factor of 1.5 times.
The anisotropic temperature factors of the disordered atoms were restrained to be nearly isotropic.
Of the four triphenylphospine groups, two have each a disordered phenyl ring. The disorder was also treated as a 1:1 type of disorder. Pairs of As—C distances were restrained to within 0.01 Å of each other. The aromatic rings were refined as a rigid hexagon of 1.39 Å sides, and the temperature factors of the primed atoms were set to those of the unprimed ones. The anisotropic temperature factors were also restrained to be nearly isotropic.
The (0 - 1 1) reflection that was affected by the beamstop as well as (-5 4 6) were omitted.
The final difference Fourier map was featureless except for a peak at 0.86 Å from Ag1 and a hole at 0.68 Å from the same atom.
Data collection: APEX2 (Bruker, 2009); cell
SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2010).[Ag(C18H15P)4](C2F3O)·C2H6O | Z = 2 |
Mr = 1316.04 | F(000) = 1360 |
Triclinic, P1 | Dx = 1.386 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.8005 (2) Å | Cell parameters from 7238 reflections |
b = 14.5169 (2) Å | θ = 2.2–28.1° |
c = 18.4830 (3) Å | µ = 0.48 mm−1 |
α = 89.4032 (8)° | T = 100 K |
β = 85.4648 (9)° | Prism, colorless |
γ = 87.7804 (9)° | 0.20 × 0.18 × 0.16 mm |
V = 3153.89 (9) Å3 |
Bruker SMART APEX diffractometer | 14387 independent reflections |
Radiation source: fine-focus sealed tube | 11357 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.030 |
ω scans | θmax = 27.5°, θmin = 1.1° |
Absorption correction: multi-scan (SADABS; Bruker, 2009) | h = −15→10 |
Tmin = 0.910, Tmax = 0.927 | k = −18→18 |
27139 measured reflections | l = −24→24 |
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: inferred from neighbouring sites |
wR(F2) = 0.122 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.052P)2 + 3.9561P] where P = (Fo2 + 2Fc2)/3 |
14387 reflections | (Δ/σ)max = 0.002 |
868 parameters | Δρmax = 1.72 e Å−3 |
218 restraints | Δρmin = −0.87 e Å−3 |
[Ag(C18H15P)4](C2F3O)·C2H6O | γ = 87.7804 (9)° |
Mr = 1316.04 | V = 3153.89 (9) Å3 |
Triclinic, P1 | Z = 2 |
a = 11.8005 (2) Å | Mo Kα radiation |
b = 14.5169 (2) Å | µ = 0.48 mm−1 |
c = 18.4830 (3) Å | T = 100 K |
α = 89.4032 (8)° | 0.20 × 0.18 × 0.16 mm |
β = 85.4648 (9)° |
Bruker SMART APEX diffractometer | 14387 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2009) | 11357 reflections with I > 2σ(I) |
Tmin = 0.910, Tmax = 0.927 | Rint = 0.030 |
27139 measured reflections |
R[F2 > 2σ(F2)] = 0.047 | 218 restraints |
wR(F2) = 0.122 | H-atom parameters constrained |
S = 1.02 | Δρmax = 1.72 e Å−3 |
14387 reflections | Δρmin = −0.87 e Å−3 |
868 parameters |
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. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ag1 | 0.49426 (2) | 0.25264 (3) | 0.249511 (12) | 0.01994 (10) | 0.9595 (15) |
Ag1' | 0.4729 (6) | 0.2070 (7) | 0.2557 (3) | 0.023 (2)* | 0.0405 (15) |
P1 | 0.57160 (7) | 0.41762 (5) | 0.21736 (4) | 0.02088 (16) | |
P2 | 0.34036 (6) | 0.21029 (5) | 0.16133 (4) | 0.02005 (16) | |
P3 | 0.40570 (7) | 0.25208 (5) | 0.38354 (4) | 0.02290 (17) | |
P4 | 0.66173 (7) | 0.12645 (5) | 0.23472 (4) | 0.02154 (16) | |
C1 | 0.6542 (14) | 0.4209 (14) | 0.1296 (5) | 0.0229 (11) | 0.50 |
C2 | 0.7377 (14) | 0.3521 (12) | 0.1148 (7) | 0.024 (2) | 0.50 |
H2 | 0.7530 | 0.3071 | 0.1507 | 0.029* | 0.50 |
C3 | 0.7989 (12) | 0.3491 (11) | 0.0473 (8) | 0.0366 (13) | 0.50 |
H3A | 0.8560 | 0.3021 | 0.0372 | 0.044* | 0.50 |
C4 | 0.7765 (12) | 0.4150 (11) | −0.0053 (5) | 0.0434 (19) | 0.50 |
H4 | 0.8183 | 0.4130 | −0.0514 | 0.052* | 0.50 |
C5 | 0.6930 (12) | 0.4838 (8) | 0.0095 (5) | 0.040 (2) | 0.50 |
H5 | 0.6777 | 0.5289 | −0.0265 | 0.048* | 0.50 |
C6 | 0.6318 (11) | 0.4868 (11) | 0.0769 (7) | 0.034 (2) | 0.50 |
H6 | 0.5747 | 0.5339 | 0.0870 | 0.041* | 0.50 |
C1' | 0.6453 (13) | 0.4243 (14) | 0.1265 (5) | 0.0229 (11) | 0.50 |
C2' | 0.7161 (14) | 0.3487 (11) | 0.1062 (7) | 0.024 (2) | 0.50 |
H2' | 0.7162 | 0.2949 | 0.1359 | 0.029* | 0.50 |
C3' | 0.7868 (13) | 0.3518 (10) | 0.0424 (9) | 0.0366 (13) | 0.50 |
H3'A | 0.8351 | 0.3002 | 0.0285 | 0.044* | 0.50 |
C4' | 0.7866 (12) | 0.4306 (11) | −0.0010 (6) | 0.0434 (19) | 0.50 |
H4' | 0.8349 | 0.4328 | −0.0446 | 0.052* | 0.50 |
C5' | 0.7158 (12) | 0.5062 (8) | 0.0194 (5) | 0.040 (2) | 0.50 |
H5' | 0.7157 | 0.5600 | −0.0103 | 0.048* | 0.50 |
C6' | 0.6452 (12) | 0.5031 (11) | 0.0831 (7) | 0.034 (2) | 0.50 |
H6' | 0.5968 | 0.5548 | 0.0970 | 0.041* | 0.50 |
C7 | 0.6726 (3) | 0.4645 (2) | 0.27605 (15) | 0.0219 (6) | |
C8 | 0.6548 (3) | 0.4498 (2) | 0.35090 (16) | 0.0259 (6) | |
H8 | 0.5944 | 0.4130 | 0.3697 | 0.031* | |
C9 | 0.7255 (3) | 0.4890 (2) | 0.39783 (17) | 0.0295 (7) | |
H9 | 0.7135 | 0.4786 | 0.4486 | 0.035* | |
C10 | 0.8130 (3) | 0.5429 (2) | 0.37087 (18) | 0.0337 (8) | |
H10 | 0.8601 | 0.5706 | 0.4032 | 0.040* | |
C11 | 0.8325 (3) | 0.5568 (2) | 0.29674 (19) | 0.0344 (8) | |
H11 | 0.8937 | 0.5930 | 0.2782 | 0.041* | |
C12 | 0.7622 (3) | 0.5178 (2) | 0.24969 (17) | 0.0290 (7) | |
H12 | 0.7756 | 0.5276 | 0.1989 | 0.035* | |
C13 | 0.4659 (3) | 0.5128 (2) | 0.21474 (15) | 0.0213 (6) | |
C14 | 0.4809 (3) | 0.5999 (2) | 0.24330 (16) | 0.0273 (7) | |
H14 | 0.5506 | 0.6130 | 0.2628 | 0.033* | |
C15 | 0.3939 (3) | 0.6675 (2) | 0.24326 (17) | 0.0319 (7) | |
H15 | 0.4049 | 0.7264 | 0.2629 | 0.038* | |
C16 | 0.2923 (3) | 0.6503 (2) | 0.21526 (17) | 0.0315 (7) | |
H16 | 0.2333 | 0.6968 | 0.2156 | 0.038* | |
C17 | 0.2770 (3) | 0.5642 (3) | 0.18652 (19) | 0.0357 (8) | |
H17 | 0.2070 | 0.5516 | 0.1671 | 0.043* | |
C18 | 0.3635 (3) | 0.4961 (2) | 0.18587 (18) | 0.0311 (7) | |
H18 | 0.3524 | 0.4376 | 0.1655 | 0.037* | |
C19 | 0.2138 (9) | 0.2872 (9) | 0.1581 (11) | 0.0211 (6) | 0.50 |
C20 | 0.1725 (12) | 0.3355 (9) | 0.2198 (9) | 0.0259 (19) | 0.50 |
H20 | 0.2080 | 0.3268 | 0.2639 | 0.031* | 0.50 |
C21 | 0.0793 (12) | 0.3967 (8) | 0.2170 (8) | 0.031 (2) | 0.50 |
H21 | 0.0511 | 0.4298 | 0.2591 | 0.037* | 0.50 |
C22 | 0.0274 (9) | 0.4095 (9) | 0.1525 (10) | 0.0325 (14) | 0.50 |
H22 | −0.0362 | 0.4513 | 0.1506 | 0.039* | 0.50 |
C23 | 0.0687 (11) | 0.3611 (8) | 0.0908 (9) | 0.032 (2) | 0.50 |
H23 | 0.0333 | 0.3698 | 0.0467 | 0.038* | 0.50 |
C24 | 0.1619 (11) | 0.3000 (7) | 0.0936 (9) | 0.024 (2) | 0.50 |
H24 | 0.1901 | 0.2669 | 0.0515 | 0.029* | 0.50 |
C19' | 0.2151 (9) | 0.2889 (9) | 0.1579 (11) | 0.0211 (6) | 0.50 |
C20' | 0.1617 (12) | 0.3165 (9) | 0.2243 (9) | 0.0259 (19) | 0.50 |
H20B | 0.1897 | 0.2941 | 0.2682 | 0.031* | 0.50 |
C21' | 0.0672 (12) | 0.3770 (8) | 0.2264 (8) | 0.031 (2) | 0.50 |
H21B | 0.0306 | 0.3959 | 0.2717 | 0.037* | 0.50 |
C22' | 0.0262 (9) | 0.4098 (9) | 0.1621 (10) | 0.0325 (14) | 0.50 |
H22B | −0.0383 | 0.4511 | 0.1636 | 0.039* | 0.50 |
C23' | 0.0797 (11) | 0.3821 (8) | 0.0958 (8) | 0.032 (2) | 0.50 |
H23B | 0.0517 | 0.4045 | 0.0518 | 0.038* | 0.50 |
C24' | 0.1742 (11) | 0.3217 (8) | 0.0937 (9) | 0.024 (2) | 0.50 |
H24B | 0.2107 | 0.3028 | 0.0483 | 0.029* | 0.50 |
C25 | 0.2782 (3) | 0.0978 (2) | 0.17701 (14) | 0.0210 (6) | |
C26 | 0.3512 (3) | 0.0204 (2) | 0.18005 (17) | 0.0284 (7) | |
H26 | 0.4311 | 0.0271 | 0.1731 | 0.034* | |
C27 | 0.3086 (3) | −0.0657 (2) | 0.19307 (18) | 0.0331 (7) | |
H27 | 0.3594 | −0.1179 | 0.1947 | 0.040* | |
C28 | 0.1925 (3) | −0.0769 (2) | 0.20376 (16) | 0.0304 (7) | |
H28 | 0.1636 | −0.1365 | 0.2125 | 0.036* | |
C29 | 0.1197 (3) | −0.0012 (2) | 0.20163 (18) | 0.0328 (7) | |
H29 | 0.0400 | −0.0083 | 0.2095 | 0.039* | |
C30 | 0.1619 (3) | 0.0858 (2) | 0.18796 (17) | 0.0290 (7) | |
H30 | 0.1106 | 0.1377 | 0.1861 | 0.035* | |
C31 | 0.3928 (3) | 0.2059 (2) | 0.06605 (15) | 0.0213 (6) | |
C32 | 0.3584 (3) | 0.1416 (2) | 0.01793 (16) | 0.0312 (7) | |
H32 | 0.3097 | 0.0943 | 0.0353 | 0.037* | |
C33 | 0.3945 (4) | 0.1458 (3) | −0.05523 (18) | 0.0418 (9) | |
H33 | 0.3705 | 0.1016 | −0.0878 | 0.050* | |
C34 | 0.4658 (3) | 0.2147 (2) | −0.08077 (18) | 0.0380 (8) | |
H34 | 0.4890 | 0.2186 | −0.1311 | 0.046* | |
C35 | 0.5029 (3) | 0.2774 (2) | −0.03357 (18) | 0.0328 (7) | |
H35 | 0.5533 | 0.3235 | −0.0511 | 0.039* | |
C36 | 0.4669 (3) | 0.2733 (2) | 0.03937 (17) | 0.0274 (7) | |
H36 | 0.4928 | 0.3169 | 0.0717 | 0.033* | |
C37 | 0.3416 (3) | 0.1458 (2) | 0.41606 (16) | 0.0272 (7) | |
C38 | 0.2692 (3) | 0.1035 (2) | 0.37159 (17) | 0.0297 (7) | |
H38 | 0.2577 | 0.1292 | 0.3251 | 0.036* | |
C39 | 0.2139 (3) | 0.0250 (3) | 0.3940 (2) | 0.0385 (8) | |
H39 | 0.1649 | −0.0032 | 0.3632 | 0.046* | |
C40 | 0.2301 (4) | −0.0123 (3) | 0.4614 (2) | 0.0569 (12) | |
H40 | 0.1910 | −0.0657 | 0.4775 | 0.068* | |
C41 | 0.3027 (5) | 0.0275 (3) | 0.5053 (2) | 0.0691 (16) | |
H41 | 0.3147 | 0.0005 | 0.5513 | 0.083* | |
C42 | 0.3587 (4) | 0.1063 (3) | 0.4835 (2) | 0.0481 (11) | |
H42 | 0.4086 | 0.1333 | 0.5144 | 0.058* | |
C43 | 0.5011 (3) | 0.2772 (2) | 0.45307 (15) | 0.0250 (6) | |
C44 | 0.6071 (3) | 0.2316 (3) | 0.45084 (18) | 0.0368 (8) | |
H44 | 0.6274 | 0.1875 | 0.4140 | 0.044* | |
C45 | 0.6832 (3) | 0.2496 (3) | 0.50158 (19) | 0.0396 (8) | |
H45 | 0.7549 | 0.2173 | 0.4995 | 0.048* | |
C46 | 0.6564 (3) | 0.3134 (2) | 0.55461 (18) | 0.0356 (8) | |
H46 | 0.7091 | 0.3256 | 0.5893 | 0.043* | |
C47 | 0.5521 (3) | 0.3599 (3) | 0.55731 (19) | 0.0404 (9) | |
H47 | 0.5332 | 0.4047 | 0.5939 | 0.049* | |
C48 | 0.4744 (3) | 0.3420 (2) | 0.50723 (17) | 0.0316 (7) | |
H48 | 0.4026 | 0.3741 | 0.5099 | 0.038* | |
C49 | 0.2877 (3) | 0.3360 (2) | 0.40079 (15) | 0.0235 (6) | |
C50 | 0.1899 (3) | 0.3173 (2) | 0.44508 (16) | 0.0286 (7) | |
H50 | 0.1838 | 0.2592 | 0.4688 | 0.034* | |
C51 | 0.1018 (3) | 0.3828 (3) | 0.45465 (19) | 0.0352 (8) | |
H51 | 0.0355 | 0.3695 | 0.4849 | 0.042* | |
C52 | 0.1103 (3) | 0.4672 (3) | 0.42015 (18) | 0.0370 (8) | |
H52 | 0.0493 | 0.5119 | 0.4263 | 0.044* | |
C53 | 0.2076 (3) | 0.4872 (2) | 0.37652 (17) | 0.0358 (8) | |
H53 | 0.2136 | 0.5458 | 0.3533 | 0.043* | |
C54 | 0.2958 (3) | 0.4220 (2) | 0.36680 (16) | 0.0306 (7) | |
H54 | 0.3623 | 0.4358 | 0.3369 | 0.037* | |
C55 | 0.7365 (3) | 0.1113 (2) | 0.14455 (16) | 0.0242 (6) | |
C56 | 0.6711 (3) | 0.1029 (2) | 0.08542 (16) | 0.0272 (7) | |
H56 | 0.5905 | 0.1052 | 0.0928 | 0.033* | |
C57 | 0.7228 (3) | 0.0913 (2) | 0.01613 (17) | 0.0326 (8) | |
H57 | 0.6776 | 0.0859 | −0.0238 | 0.039* | |
C58 | 0.8397 (3) | 0.0874 (3) | 0.00484 (18) | 0.0402 (9) | |
H58 | 0.8749 | 0.0789 | −0.0427 | 0.048* | |
C59 | 0.9056 (3) | 0.0961 (3) | 0.06287 (19) | 0.0457 (10) | |
H59 | 0.9862 | 0.0933 | 0.0551 | 0.055* | |
C60 | 0.8539 (3) | 0.1088 (3) | 0.13279 (18) | 0.0374 (8) | |
H60 | 0.8993 | 0.1159 | 0.1724 | 0.045* | |
C61 | 0.7769 (3) | 0.1492 (2) | 0.29168 (15) | 0.0223 (6) | |
C62 | 0.8057 (3) | 0.2397 (3) | 0.3006 (2) | 0.0424 (9) | |
H62 | 0.7656 | 0.2878 | 0.2770 | 0.051* | |
C63 | 0.8923 (4) | 0.2609 (3) | 0.3435 (2) | 0.0480 (10) | |
H63 | 0.9111 | 0.3234 | 0.3490 | 0.058* | |
C64 | 0.9506 (3) | 0.1930 (3) | 0.37779 (19) | 0.0365 (8) | |
H64 | 1.0098 | 0.2078 | 0.4071 | 0.044* | |
C65 | 0.9229 (3) | 0.1031 (3) | 0.3696 (2) | 0.0421 (9) | |
H65 | 0.9635 | 0.0554 | 0.3934 | 0.051* | |
C66 | 0.8365 (3) | 0.0808 (2) | 0.32717 (19) | 0.0335 (8) | |
H66 | 0.8181 | 0.0182 | 0.3223 | 0.040* | |
C67 | 0.6285 (3) | 0.0083 (2) | 0.26122 (16) | 0.0249 (6) | |
C68 | 0.6938 (3) | −0.0683 (2) | 0.23552 (18) | 0.0359 (8) | |
H68 | 0.7536 | −0.0610 | 0.1986 | 0.043* | |
C69 | 0.6714 (4) | −0.1553 (3) | 0.2639 (2) | 0.0482 (11) | |
H69 | 0.7168 | −0.2073 | 0.2467 | 0.058* | |
C70 | 0.5837 (4) | −0.1668 (3) | 0.3169 (2) | 0.0486 (11) | |
H70 | 0.5697 | −0.2264 | 0.3365 | 0.058* | |
C71 | 0.5168 (4) | −0.0923 (3) | 0.3413 (2) | 0.0422 (9) | |
H71 | 0.4554 | −0.1004 | 0.3770 | 0.051* | |
C72 | 0.5393 (3) | −0.0052 (2) | 0.31369 (19) | 0.0339 (8) | |
H72 | 0.4931 | 0.0463 | 0.3309 | 0.041* | |
F1 | 1.0119 (5) | 0.8242 (4) | 0.4427 (2) | 0.0662 (15) | 0.50 |
F2 | 0.8570 (3) | 0.8000 (3) | 0.3933 (2) | 0.0501 (12) | 0.50 |
F3 | 0.9765 (4) | 0.8959 (3) | 0.3440 (3) | 0.0540 (13) | 0.50 |
O1 | 1.0194 (5) | 0.7446 (4) | 0.2670 (2) | 0.0433 (14) | 0.50 |
O2 | 1.0651 (9) | 0.6753 (7) | 0.3659 (4) | 0.047 (2) | 0.50 |
O3 | 1.0003 (5) | 0.6425 (4) | 0.1458 (3) | 0.0512 (15) | 0.50 |
H3 | 0.9827 | 0.6210 | 0.1874 | 0.077* | 0.50 |
C73 | 1.0236 (6) | 0.7369 (4) | 0.3308 (3) | 0.0308 (15) | 0.50 |
C74 | 0.9680 (6) | 0.8131 (5) | 0.3784 (3) | 0.0298 (17) | 0.50 |
C75 | 0.9010 (7) | 0.6860 (6) | 0.1174 (5) | 0.042 (2) | 0.50 |
H75A | 0.8427 | 0.6986 | 0.1580 | 0.051* | 0.50 |
H75B | 0.8690 | 0.6430 | 0.0838 | 0.051* | 0.50 |
C76 | 0.9266 (12) | 0.7750 (8) | 0.0777 (9) | 0.082 (4) | 0.50 |
H76A | 0.8569 | 0.8011 | 0.0587 | 0.124* | 0.50 |
H76B | 0.9841 | 0.7630 | 0.0374 | 0.124* | 0.50 |
H76C | 0.9554 | 0.8188 | 0.1112 | 0.124* | 0.50 |
F1' | 0.9865 (10) | 0.6689 (10) | 0.0857 (9) | 0.248 (7) | 0.50 |
F2' | 0.9180 (14) | 0.8159 (8) | 0.0845 (11) | 0.234 (8) | 0.50 |
F3' | 0.8138 (6) | 0.7040 (5) | 0.1259 (4) | 0.100 (2) | 0.50 |
O1' | 1.0300 (6) | 0.7086 (5) | 0.2197 (5) | 0.081 (2) | 0.50 |
O2' | 0.9371 (7) | 0.8392 (5) | 0.1985 (7) | 0.118 (3) | 0.50 |
C73' | 0.9687 (8) | 0.7605 (6) | 0.1858 (5) | 0.075 (3) | 0.50 |
C74' | 0.9189 (8) | 0.7355 (8) | 0.1171 (5) | 0.079 (4) | 0.50 |
O3' | 1.0611 (19) | 0.6908 (11) | 0.3634 (11) | 0.130 (7) | 0.50 |
H3' | 1.0879 | 0.6930 | 0.3199 | 0.196* | 0.50 |
C75' | 1.0495 (14) | 0.7819 (10) | 0.3921 (8) | 0.111 (5) | 0.50 |
H75C | 1.1145 | 0.8160 | 0.3697 | 0.133* | 0.50 |
H75D | 1.0609 | 0.7762 | 0.4445 | 0.133* | 0.50 |
C76' | 0.9469 (17) | 0.8426 (14) | 0.3863 (12) | 0.128 (8) | 0.50 |
H76D | 0.9535 | 0.8986 | 0.4146 | 0.192* | 0.50 |
H76E | 0.8794 | 0.8101 | 0.4052 | 0.192* | 0.50 |
H76F | 0.9398 | 0.8593 | 0.3353 | 0.192* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.02173 (13) | 0.0206 (2) | 0.01755 (11) | −0.00173 (11) | −0.00135 (8) | −0.00055 (9) |
P1 | 0.0226 (4) | 0.0212 (4) | 0.0190 (3) | −0.0013 (3) | −0.0026 (3) | −0.0003 (3) |
P2 | 0.0193 (4) | 0.0223 (4) | 0.0189 (3) | −0.0018 (3) | −0.0026 (3) | −0.0014 (3) |
P3 | 0.0289 (4) | 0.0235 (4) | 0.0157 (3) | 0.0009 (3) | 0.0009 (3) | −0.0003 (3) |
P4 | 0.0205 (4) | 0.0231 (4) | 0.0212 (3) | 0.0013 (3) | −0.0038 (3) | −0.0021 (3) |
C1 | 0.019 (2) | 0.030 (2) | 0.0199 (14) | −0.0040 (18) | −0.0026 (14) | −0.0031 (13) |
C2 | 0.017 (5) | 0.029 (2) | 0.027 (3) | −0.006 (3) | −0.008 (3) | −0.005 (2) |
C3 | 0.029 (3) | 0.046 (2) | 0.035 (2) | 0.000 (2) | 0.000 (2) | −0.0126 (18) |
C4 | 0.044 (3) | 0.060 (5) | 0.0253 (19) | −0.003 (3) | 0.007 (2) | −0.006 (2) |
C5 | 0.053 (5) | 0.043 (6) | 0.025 (3) | −0.008 (4) | −0.001 (3) | 0.007 (3) |
C6 | 0.047 (3) | 0.029 (5) | 0.024 (2) | 0.000 (3) | 0.001 (2) | 0.001 (2) |
C1' | 0.019 (2) | 0.030 (2) | 0.0199 (14) | −0.0040 (18) | −0.0026 (14) | −0.0031 (13) |
C2' | 0.017 (5) | 0.029 (2) | 0.027 (3) | −0.006 (3) | −0.008 (3) | −0.005 (2) |
C3' | 0.029 (3) | 0.046 (2) | 0.035 (2) | 0.000 (2) | 0.000 (2) | −0.0126 (18) |
C4' | 0.044 (3) | 0.060 (5) | 0.0253 (19) | −0.003 (3) | 0.007 (2) | −0.006 (2) |
C5' | 0.053 (5) | 0.043 (6) | 0.025 (3) | −0.008 (4) | −0.001 (3) | 0.007 (3) |
C6' | 0.047 (3) | 0.029 (5) | 0.024 (2) | 0.000 (3) | 0.001 (2) | 0.001 (2) |
C7 | 0.0222 (15) | 0.0224 (15) | 0.0209 (13) | 0.0028 (12) | −0.0023 (11) | −0.0014 (11) |
C8 | 0.0289 (17) | 0.0233 (16) | 0.0252 (15) | 0.0008 (13) | −0.0016 (12) | 0.0018 (12) |
C9 | 0.0371 (19) | 0.0284 (17) | 0.0231 (14) | 0.0043 (14) | −0.0057 (13) | −0.0026 (12) |
C10 | 0.0324 (18) | 0.0360 (19) | 0.0344 (17) | 0.0047 (15) | −0.0144 (14) | −0.0105 (14) |
C11 | 0.0240 (17) | 0.039 (2) | 0.0410 (19) | −0.0080 (15) | −0.0040 (14) | −0.0053 (15) |
C12 | 0.0275 (17) | 0.0347 (18) | 0.0248 (15) | −0.0040 (14) | −0.0010 (13) | −0.0006 (13) |
C13 | 0.0207 (15) | 0.0227 (15) | 0.0201 (13) | 0.0014 (12) | 0.0005 (11) | 0.0021 (11) |
C14 | 0.0281 (17) | 0.0262 (17) | 0.0282 (15) | −0.0018 (13) | −0.0065 (13) | 0.0007 (12) |
C15 | 0.040 (2) | 0.0235 (17) | 0.0315 (16) | 0.0071 (14) | −0.0043 (14) | −0.0013 (13) |
C16 | 0.0318 (18) | 0.0333 (19) | 0.0280 (16) | 0.0082 (15) | 0.0004 (13) | 0.0065 (13) |
C17 | 0.0275 (18) | 0.040 (2) | 0.0409 (19) | −0.0001 (15) | −0.0117 (15) | 0.0047 (15) |
C18 | 0.0331 (18) | 0.0279 (17) | 0.0338 (17) | −0.0012 (14) | −0.0116 (14) | −0.0021 (13) |
C19 | 0.0187 (14) | 0.0195 (15) | 0.0252 (14) | −0.0022 (12) | −0.0017 (11) | −0.0002 (11) |
C20 | 0.029 (3) | 0.022 (5) | 0.027 (2) | −0.005 (3) | −0.002 (2) | −0.001 (3) |
C21 | 0.024 (3) | 0.031 (5) | 0.036 (4) | 0.000 (3) | 0.007 (2) | −0.005 (3) |
C22 | 0.0221 (17) | 0.0325 (19) | 0.042 (4) | 0.0040 (14) | 0.0013 (18) | −0.0026 (19) |
C23 | 0.028 (3) | 0.032 (5) | 0.036 (2) | 0.003 (3) | −0.0085 (19) | 0.001 (3) |
C24 | 0.026 (3) | 0.019 (5) | 0.0274 (16) | −0.002 (3) | −0.0039 (19) | −0.001 (3) |
C19' | 0.0187 (14) | 0.0195 (15) | 0.0252 (14) | −0.0022 (12) | −0.0017 (11) | −0.0002 (11) |
C20' | 0.029 (3) | 0.022 (5) | 0.027 (2) | −0.005 (3) | −0.002 (2) | −0.001 (3) |
C21' | 0.024 (3) | 0.031 (5) | 0.036 (4) | 0.000 (3) | 0.007 (2) | −0.005 (3) |
C22' | 0.0221 (17) | 0.0325 (19) | 0.042 (4) | 0.0040 (14) | 0.0013 (18) | −0.0026 (19) |
C23' | 0.028 (3) | 0.032 (5) | 0.036 (2) | 0.003 (3) | −0.0085 (19) | 0.001 (3) |
C24' | 0.026 (3) | 0.019 (5) | 0.0274 (16) | −0.002 (3) | −0.0039 (19) | −0.001 (3) |
C25 | 0.0243 (15) | 0.0212 (15) | 0.0179 (13) | −0.0018 (12) | −0.0036 (11) | −0.0013 (11) |
C26 | 0.0241 (16) | 0.0304 (18) | 0.0300 (16) | 0.0007 (13) | 0.0001 (13) | 0.0040 (13) |
C27 | 0.0361 (19) | 0.0264 (17) | 0.0351 (17) | 0.0072 (15) | 0.0031 (14) | 0.0045 (13) |
C28 | 0.041 (2) | 0.0241 (17) | 0.0264 (15) | −0.0040 (14) | −0.0041 (14) | 0.0034 (12) |
C29 | 0.0263 (17) | 0.0307 (18) | 0.0424 (19) | −0.0059 (14) | −0.0078 (14) | 0.0071 (14) |
C30 | 0.0246 (16) | 0.0257 (17) | 0.0366 (17) | 0.0002 (13) | −0.0042 (13) | 0.0052 (13) |
C31 | 0.0215 (15) | 0.0223 (15) | 0.0198 (13) | 0.0022 (12) | −0.0011 (11) | 0.0012 (11) |
C32 | 0.042 (2) | 0.0274 (17) | 0.0241 (15) | −0.0072 (15) | −0.0009 (14) | −0.0007 (12) |
C33 | 0.067 (3) | 0.035 (2) | 0.0221 (16) | −0.0021 (19) | 0.0020 (16) | −0.0060 (14) |
C34 | 0.050 (2) | 0.036 (2) | 0.0252 (16) | 0.0091 (17) | 0.0111 (15) | 0.0043 (14) |
C35 | 0.0285 (17) | 0.0321 (18) | 0.0358 (17) | 0.0051 (14) | 0.0058 (14) | 0.0106 (14) |
C36 | 0.0224 (16) | 0.0271 (17) | 0.0323 (16) | −0.0002 (13) | −0.0013 (13) | 0.0023 (13) |
C37 | 0.0351 (18) | 0.0231 (16) | 0.0230 (14) | −0.0004 (13) | 0.0001 (13) | 0.0001 (12) |
C38 | 0.0309 (18) | 0.0339 (18) | 0.0236 (15) | −0.0013 (14) | 0.0021 (13) | −0.0032 (13) |
C39 | 0.039 (2) | 0.035 (2) | 0.042 (2) | −0.0059 (16) | −0.0059 (16) | −0.0054 (15) |
C40 | 0.071 (3) | 0.039 (2) | 0.065 (3) | −0.025 (2) | −0.018 (2) | 0.019 (2) |
C41 | 0.104 (4) | 0.057 (3) | 0.053 (3) | −0.038 (3) | −0.036 (3) | 0.033 (2) |
C42 | 0.073 (3) | 0.040 (2) | 0.0344 (19) | −0.020 (2) | −0.0204 (19) | 0.0131 (16) |
C43 | 0.0310 (17) | 0.0260 (16) | 0.0173 (13) | −0.0009 (13) | 0.0025 (12) | 0.0029 (11) |
C44 | 0.039 (2) | 0.040 (2) | 0.0304 (17) | 0.0116 (16) | −0.0044 (15) | −0.0064 (14) |
C45 | 0.037 (2) | 0.044 (2) | 0.0375 (19) | 0.0110 (17) | −0.0063 (16) | 0.0006 (16) |
C46 | 0.040 (2) | 0.038 (2) | 0.0304 (17) | −0.0053 (16) | −0.0123 (15) | 0.0032 (14) |
C47 | 0.047 (2) | 0.045 (2) | 0.0313 (17) | 0.0012 (18) | −0.0106 (16) | −0.0132 (15) |
C48 | 0.0322 (18) | 0.0349 (19) | 0.0272 (16) | 0.0048 (15) | −0.0022 (13) | −0.0075 (13) |
C49 | 0.0292 (16) | 0.0260 (16) | 0.0156 (13) | 0.0014 (13) | −0.0036 (11) | −0.0040 (11) |
C50 | 0.0290 (17) | 0.0337 (18) | 0.0232 (14) | −0.0046 (14) | −0.0011 (12) | −0.0061 (12) |
C51 | 0.0276 (18) | 0.040 (2) | 0.0381 (18) | −0.0029 (15) | −0.0006 (14) | −0.0159 (15) |
C52 | 0.0325 (19) | 0.043 (2) | 0.0361 (18) | 0.0125 (16) | −0.0128 (15) | −0.0194 (16) |
C53 | 0.051 (2) | 0.0303 (19) | 0.0259 (16) | 0.0084 (16) | −0.0092 (15) | −0.0037 (13) |
C54 | 0.040 (2) | 0.0304 (18) | 0.0204 (14) | 0.0022 (15) | 0.0003 (13) | 0.0024 (12) |
C55 | 0.0268 (16) | 0.0225 (16) | 0.0233 (14) | 0.0049 (13) | −0.0043 (12) | −0.0006 (11) |
C56 | 0.0291 (17) | 0.0240 (16) | 0.0290 (15) | 0.0037 (13) | −0.0087 (13) | −0.0021 (12) |
C57 | 0.046 (2) | 0.0299 (18) | 0.0221 (15) | 0.0065 (15) | −0.0087 (14) | −0.0029 (12) |
C58 | 0.049 (2) | 0.046 (2) | 0.0235 (16) | 0.0147 (18) | 0.0008 (15) | −0.0045 (14) |
C59 | 0.031 (2) | 0.072 (3) | 0.0317 (18) | 0.0142 (19) | 0.0047 (15) | −0.0032 (18) |
C60 | 0.0298 (18) | 0.058 (2) | 0.0246 (16) | 0.0061 (17) | −0.0047 (14) | −0.0022 (15) |
C61 | 0.0196 (15) | 0.0275 (16) | 0.0197 (13) | −0.0004 (12) | −0.0009 (11) | −0.0028 (11) |
C62 | 0.048 (2) | 0.0277 (19) | 0.054 (2) | −0.0013 (17) | −0.0228 (19) | −0.0033 (16) |
C63 | 0.049 (2) | 0.035 (2) | 0.063 (3) | −0.0093 (18) | −0.018 (2) | −0.0127 (18) |
C64 | 0.0283 (18) | 0.046 (2) | 0.0370 (18) | −0.0094 (16) | −0.0096 (14) | −0.0072 (15) |
C65 | 0.034 (2) | 0.048 (2) | 0.048 (2) | −0.0059 (17) | −0.0220 (17) | 0.0087 (17) |
C66 | 0.0306 (18) | 0.0302 (18) | 0.0422 (19) | −0.0081 (15) | −0.0153 (15) | 0.0062 (14) |
C67 | 0.0274 (16) | 0.0254 (16) | 0.0232 (14) | −0.0024 (13) | −0.0094 (12) | −0.0021 (12) |
C68 | 0.052 (2) | 0.0288 (18) | 0.0280 (16) | 0.0021 (16) | −0.0080 (15) | −0.0054 (13) |
C69 | 0.079 (3) | 0.0255 (19) | 0.042 (2) | 0.0049 (19) | −0.020 (2) | −0.0077 (15) |
C70 | 0.078 (3) | 0.033 (2) | 0.039 (2) | −0.020 (2) | −0.025 (2) | 0.0074 (16) |
C71 | 0.045 (2) | 0.044 (2) | 0.040 (2) | −0.0138 (18) | −0.0113 (17) | 0.0101 (16) |
C72 | 0.0297 (18) | 0.0336 (19) | 0.0388 (18) | −0.0013 (15) | −0.0059 (14) | 0.0044 (14) |
F1 | 0.076 (4) | 0.085 (4) | 0.040 (3) | −0.006 (3) | −0.018 (2) | −0.027 (2) |
F2 | 0.035 (2) | 0.062 (3) | 0.050 (3) | 0.007 (2) | 0.013 (2) | 0.001 (2) |
F3 | 0.074 (3) | 0.020 (2) | 0.064 (3) | 0.005 (2) | 0.015 (3) | 0.008 (2) |
O1 | 0.047 (3) | 0.063 (4) | 0.020 (2) | −0.023 (3) | 0.006 (2) | −0.012 (2) |
O2 | 0.042 (4) | 0.042 (4) | 0.054 (4) | 0.024 (3) | −0.003 (3) | 0.006 (3) |
O3 | 0.065 (4) | 0.040 (3) | 0.044 (3) | 0.012 (3) | 0.013 (3) | 0.001 (2) |
C73 | 0.026 (3) | 0.022 (3) | 0.045 (4) | −0.007 (3) | −0.003 (3) | 0.005 (3) |
C74 | 0.046 (4) | 0.023 (4) | 0.022 (3) | −0.003 (3) | −0.009 (3) | 0.010 (3) |
C75 | 0.042 (5) | 0.056 (5) | 0.029 (4) | −0.010 (4) | −0.001 (3) | −0.009 (4) |
C76 | 0.068 (6) | 0.043 (5) | 0.141 (9) | −0.035 (5) | −0.023 (6) | 0.052 (6) |
F1' | 0.232 (10) | 0.293 (11) | 0.217 (10) | 0.045 (9) | −0.015 (8) | −0.056 (9) |
F2' | 0.217 (11) | 0.239 (11) | 0.249 (11) | −0.049 (9) | −0.028 (8) | 0.065 (9) |
F3' | 0.080 (5) | 0.128 (6) | 0.095 (5) | −0.025 (4) | −0.008 (4) | −0.014 (4) |
O1' | 0.053 (4) | 0.085 (5) | 0.105 (6) | 0.009 (4) | −0.011 (4) | 0.035 (4) |
O2' | 0.061 (5) | 0.058 (5) | 0.233 (9) | 0.004 (4) | −0.004 (5) | 0.011 (5) |
C73' | 0.046 (5) | 0.079 (6) | 0.099 (7) | −0.012 (5) | −0.002 (5) | 0.014 (6) |
C74' | 0.059 (6) | 0.120 (9) | 0.058 (6) | 0.010 (7) | −0.011 (5) | −0.018 (7) |
O3' | 0.120 (10) | 0.105 (10) | 0.165 (11) | 0.001 (8) | −0.007 (8) | −0.010 (8) |
C75' | 0.131 (9) | 0.111 (9) | 0.091 (8) | −0.006 (8) | −0.010 (7) | −0.007 (7) |
C76' | 0.135 (11) | 0.119 (11) | 0.125 (10) | 0.046 (8) | 0.007 (8) | −0.014 (8) |
Ag1—P3 | 2.6115 (8) | C33—C34 | 1.387 (5) |
Ag1—P2 | 2.6283 (8) | C33—H33 | 0.9500 |
Ag1—P1 | 2.6413 (9) | C34—C35 | 1.374 (5) |
Ag1—P4 | 2.6421 (8) | C34—H34 | 0.9500 |
Ag1'—P2 | 2.433 (6) | C35—C36 | 1.382 (4) |
Ag1'—P4 | 2.480 (6) | C35—H35 | 0.9500 |
Ag1'—P3 | 2.517 (6) | C36—H36 | 0.9500 |
P1—C1 | 1.827 (5) | C37—C42 | 1.392 (4) |
P1—C7 | 1.828 (3) | C37—C38 | 1.395 (4) |
P1—C13 | 1.829 (3) | C38—C39 | 1.378 (5) |
P1—C1' | 1.832 (5) | C38—H38 | 0.9500 |
P2—C31 | 1.821 (3) | C39—C40 | 1.376 (5) |
P2—C25 | 1.826 (3) | C39—H39 | 0.9500 |
P2—C19 | 1.834 (5) | C40—C41 | 1.373 (6) |
P2—C19' | 1.836 (5) | C40—H40 | 0.9500 |
P3—C37 | 1.821 (3) | C41—C42 | 1.384 (6) |
P3—C43 | 1.823 (3) | C41—H41 | 0.9500 |
P3—C49 | 1.825 (3) | C42—H42 | 0.9500 |
P4—C61 | 1.826 (3) | C43—C44 | 1.390 (5) |
P4—C67 | 1.828 (3) | C43—C48 | 1.390 (4) |
P4—C55 | 1.834 (3) | C44—C45 | 1.383 (5) |
C1—C2 | 1.3900 | C44—H44 | 0.9500 |
C1—C6 | 1.3900 | C45—C46 | 1.366 (5) |
C2—C3 | 1.3900 | C45—H45 | 0.9500 |
C2—H2 | 0.9500 | C46—C47 | 1.379 (5) |
C3—C4 | 1.3900 | C46—H46 | 0.9500 |
C3—H3A | 0.9500 | C47—C48 | 1.386 (5) |
C4—C5 | 1.3900 | C47—H47 | 0.9500 |
C4—H4 | 0.9500 | C48—H48 | 0.9500 |
C5—C6 | 1.3900 | C49—C54 | 1.395 (4) |
C5—H5 | 0.9500 | C49—C50 | 1.395 (4) |
C6—H6 | 0.9500 | C50—C51 | 1.383 (5) |
C1'—C2' | 1.3900 | C50—H50 | 0.9500 |
C1'—C6' | 1.3900 | C51—C52 | 1.380 (5) |
C2'—C3' | 1.3900 | C51—H51 | 0.9500 |
C2'—H2' | 0.9500 | C52—C53 | 1.389 (5) |
C3'—C4' | 1.3900 | C52—H52 | 0.9500 |
C3'—H3'A | 0.9500 | C53—C54 | 1.382 (5) |
C4'—C5' | 1.3900 | C53—H53 | 0.9500 |
C4'—H4' | 0.9500 | C54—H54 | 0.9500 |
C5'—C6' | 1.3900 | C55—C60 | 1.384 (5) |
C5'—H5' | 0.9500 | C55—C56 | 1.395 (4) |
C6'—H6' | 0.9500 | C56—C57 | 1.383 (4) |
C7—C12 | 1.389 (4) | C56—H56 | 0.9500 |
C7—C8 | 1.398 (4) | C57—C58 | 1.377 (5) |
C8—C9 | 1.391 (4) | C57—H57 | 0.9500 |
C8—H8 | 0.9500 | C58—C59 | 1.384 (5) |
C9—C10 | 1.378 (5) | C58—H58 | 0.9500 |
C9—H9 | 0.9500 | C59—C60 | 1.396 (5) |
C10—C11 | 1.385 (5) | C59—H59 | 0.9500 |
C10—H10 | 0.9500 | C60—H60 | 0.9500 |
C11—C12 | 1.387 (4) | C61—C62 | 1.384 (5) |
C11—H11 | 0.9500 | C61—C66 | 1.384 (4) |
C12—H12 | 0.9500 | C62—C63 | 1.389 (5) |
C13—C18 | 1.390 (4) | C62—H62 | 0.9500 |
C13—C14 | 1.397 (4) | C63—C64 | 1.360 (5) |
C14—C15 | 1.393 (5) | C63—H63 | 0.9500 |
C14—H14 | 0.9500 | C64—C65 | 1.371 (5) |
C15—C16 | 1.376 (5) | C64—H64 | 0.9500 |
C15—H15 | 0.9500 | C65—C66 | 1.384 (5) |
C16—C17 | 1.387 (5) | C65—H65 | 0.9500 |
C16—H16 | 0.9500 | C66—H66 | 0.9500 |
C17—C18 | 1.393 (5) | C67—C72 | 1.391 (5) |
C17—H17 | 0.9500 | C67—C68 | 1.394 (5) |
C18—H18 | 0.9500 | C68—C69 | 1.390 (5) |
C19—C20 | 1.3900 | C68—H68 | 0.9500 |
C19—C24 | 1.3900 | C69—C70 | 1.381 (6) |
C20—C21 | 1.3900 | C69—H69 | 0.9500 |
C20—H20 | 0.9500 | C70—C71 | 1.373 (6) |
C21—C22 | 1.3900 | C70—H70 | 0.9500 |
C21—H21 | 0.9500 | C71—C72 | 1.387 (5) |
C22—C23 | 1.3900 | C71—H71 | 0.9500 |
C22—H22 | 0.9500 | C72—H72 | 0.9500 |
C23—C24 | 1.3900 | F1—C74 | 1.347 (6) |
C23—H23 | 0.9500 | F2—C74 | 1.337 (7) |
C24—H24 | 0.9500 | F3—C74 | 1.357 (7) |
C19'—C20' | 1.3900 | O1—C73 | 1.189 (6) |
C19'—C24' | 1.3900 | O2—C73 | 1.211 (8) |
C20'—C21' | 1.3900 | O3—C75 | 1.442 (8) |
C20'—H20B | 0.9500 | O3—H3 | 0.8400 |
C21'—C22' | 1.3900 | C73—C74 | 1.516 (8) |
C21'—H21B | 0.9500 | C75—C76 | 1.509 (8) |
C22'—C23' | 1.3900 | C75—H75A | 0.9900 |
C22'—H22B | 0.9500 | C75—H75B | 0.9900 |
C23'—C24' | 1.3900 | C76—H76A | 0.9800 |
C23'—H23B | 0.9500 | C76—H76B | 0.9800 |
C24'—H24B | 0.9500 | C76—H76C | 0.9800 |
C25—C30 | 1.390 (4) | F1'—C74' | 1.337 (9) |
C25—C26 | 1.392 (4) | F2'—C74' | 1.307 (9) |
C26—C27 | 1.377 (5) | F3'—C74' | 1.336 (8) |
C26—H26 | 0.9500 | O1'—C73' | 1.226 (8) |
C27—C28 | 1.385 (5) | O2'—C73' | 1.209 (8) |
C27—H27 | 0.9500 | C73'—C74' | 1.495 (9) |
C28—C29 | 1.371 (5) | O3'—C75' | 1.428 (10) |
C28—H28 | 0.9500 | O3'—H3' | 0.8400 |
C29—C30 | 1.389 (4) | C75'—C76' | 1.480 (10) |
C29—H29 | 0.9500 | C75'—H75C | 0.9900 |
C30—H30 | 0.9500 | C75'—H75D | 0.9900 |
C31—C32 | 1.390 (4) | C76'—H76D | 0.9800 |
C31—C36 | 1.398 (4) | C76'—H76E | 0.9800 |
C32—C33 | 1.387 (4) | C76'—H76F | 0.9800 |
C32—H32 | 0.9500 | ||
P3—Ag1—P2 | 109.99 (3) | C29—C30—C25 | 120.8 (3) |
P3—Ag1—P1 | 109.06 (3) | C29—C30—H30 | 119.6 |
P2—Ag1—P1 | 110.41 (3) | C25—C30—H30 | 119.6 |
P3—Ag1—P4 | 109.40 (3) | C32—C31—C36 | 118.5 (3) |
P2—Ag1—P4 | 107.76 (3) | C32—C31—P2 | 123.2 (2) |
P1—Ag1—P4 | 110.21 (3) | C36—C31—P2 | 118.2 (2) |
P2—Ag1'—P4 | 120.1 (2) | C33—C32—C31 | 120.7 (3) |
P2—Ag1'—P3 | 120.2 (3) | C33—C32—H32 | 119.7 |
P4—Ag1'—P3 | 118.2 (2) | C31—C32—H32 | 119.7 |
C1—P1—C7 | 100.7 (5) | C32—C33—C34 | 119.8 (3) |
C1—P1—C13 | 105.4 (6) | C32—C33—H33 | 120.1 |
C7—P1—C13 | 101.46 (14) | C34—C33—H33 | 120.1 |
C7—P1—C1' | 103.6 (5) | C35—C34—C33 | 120.2 (3) |
C13—P1—C1' | 101.9 (7) | C35—C34—H34 | 119.9 |
C1—P1—Ag1 | 112.6 (6) | C33—C34—H34 | 119.9 |
C7—P1—Ag1 | 117.80 (10) | C34—C35—C36 | 120.0 (3) |
C13—P1—Ag1 | 116.82 (10) | C34—C35—H35 | 120.0 |
C1'—P1—Ag1 | 113.2 (6) | C36—C35—H35 | 120.0 |
C31—P2—C25 | 103.04 (13) | C35—C36—C31 | 120.7 (3) |
C31—P2—C19 | 101.7 (6) | C35—C36—H36 | 119.6 |
C25—P2—C19 | 102.2 (5) | C31—C36—H36 | 119.6 |
C31—P2—C19' | 101.5 (6) | C42—C37—C38 | 118.6 (3) |
C25—P2—C19' | 103.1 (5) | C42—C37—P3 | 123.5 (3) |
C31—P2—Ag1' | 120.35 (19) | C38—C37—P3 | 117.9 (2) |
C25—P2—Ag1' | 99.8 (3) | C39—C38—C37 | 121.0 (3) |
C19—P2—Ag1' | 125.9 (6) | C39—C38—H38 | 119.5 |
C19'—P2—Ag1' | 125.5 (6) | C37—C38—H38 | 119.5 |
C31—P2—Ag1 | 114.19 (10) | C40—C39—C38 | 119.7 (3) |
C25—P2—Ag1 | 115.59 (9) | C40—C39—H39 | 120.2 |
C19—P2—Ag1 | 118.0 (6) | C38—C39—H39 | 120.2 |
C19'—P2—Ag1 | 117.4 (6) | C41—C40—C39 | 120.1 (4) |
C37—P3—C43 | 103.28 (14) | C41—C40—H40 | 120.0 |
C37—P3—C49 | 101.67 (15) | C39—C40—H40 | 120.0 |
C43—P3—C49 | 103.48 (14) | C40—C41—C42 | 120.9 (4) |
C37—P3—Ag1' | 100.4 (3) | C40—C41—H41 | 119.6 |
C43—P3—Ag1' | 123.70 (19) | C42—C41—H41 | 119.6 |
C49—P3—Ag1' | 120.55 (18) | C41—C42—C37 | 119.7 (4) |
C37—P3—Ag1 | 116.44 (10) | C41—C42—H42 | 120.1 |
C43—P3—Ag1 | 116.33 (10) | C37—C42—H42 | 120.1 |
C49—P3—Ag1 | 113.73 (9) | C44—C43—C48 | 118.2 (3) |
C61—P4—C67 | 101.70 (14) | C44—C43—P3 | 118.7 (2) |
C61—P4—C55 | 102.81 (14) | C48—C43—P3 | 123.1 (3) |
C67—P4—C55 | 102.49 (14) | C45—C44—C43 | 120.8 (3) |
C61—P4—Ag1' | 121.0 (2) | C45—C44—H44 | 119.6 |
C67—P4—Ag1' | 101.6 (3) | C43—C44—H44 | 119.6 |
C55—P4—Ag1' | 123.51 (17) | C46—C45—C44 | 120.7 (3) |
C61—P4—Ag1 | 112.37 (10) | C46—C45—H45 | 119.6 |
C67—P4—Ag1 | 117.24 (11) | C44—C45—H45 | 119.6 |
C55—P4—Ag1 | 118.02 (10) | C45—C46—C47 | 119.3 (3) |
C2—C1—C6 | 120.0 | C45—C46—H46 | 120.4 |
C2—C1—P1 | 117.9 (11) | C47—C46—H46 | 120.4 |
C6—C1—P1 | 122.0 (11) | C46—C47—C48 | 120.7 (3) |
C1—C2—C3 | 120.0 | C46—C47—H47 | 119.7 |
C1—C2—H2 | 120.0 | C48—C47—H47 | 119.7 |
C3—C2—H2 | 120.0 | C47—C48—C43 | 120.4 (3) |
C2—C3—C4 | 120.0 | C47—C48—H48 | 119.8 |
C2—C3—H3A | 120.0 | C43—C48—H48 | 119.8 |
C4—C3—H3A | 120.0 | C54—C49—C50 | 119.1 (3) |
C5—C4—C3 | 120.0 | C54—C49—P3 | 117.9 (2) |
C5—C4—H4 | 120.0 | C50—C49—P3 | 123.0 (2) |
C3—C4—H4 | 120.0 | C51—C50—C49 | 120.5 (3) |
C4—C5—C6 | 120.0 | C51—C50—H50 | 119.8 |
C4—C5—H5 | 120.0 | C49—C50—H50 | 119.8 |
C6—C5—H5 | 120.0 | C52—C51—C50 | 119.9 (3) |
C5—C6—C1 | 120.0 | C52—C51—H51 | 120.0 |
C5—C6—H6 | 120.0 | C50—C51—H51 | 120.0 |
C1—C6—H6 | 120.0 | C51—C52—C53 | 120.2 (3) |
C2'—C1'—C6' | 120.0 | C51—C52—H52 | 119.9 |
C2'—C1'—P1 | 115.6 (11) | C53—C52—H52 | 119.9 |
C6'—C1'—P1 | 123.9 (11) | C54—C53—C52 | 120.0 (3) |
C1'—C2'—C3' | 120.0 | C54—C53—H53 | 120.0 |
C1'—C2'—H2' | 120.0 | C52—C53—H53 | 120.0 |
C3'—C2'—H2' | 120.0 | C53—C54—C49 | 120.3 (3) |
C2'—C3'—C4' | 120.0 | C53—C54—H54 | 119.9 |
C2'—C3'—H3'A | 120.0 | C49—C54—H54 | 119.9 |
C4'—C3'—H3'A | 120.0 | C60—C55—C56 | 119.0 (3) |
C3'—C4'—C5' | 120.0 | C60—C55—P4 | 123.0 (2) |
C3'—C4'—H4' | 120.0 | C56—C55—P4 | 118.0 (2) |
C5'—C4'—H4' | 120.0 | C57—C56—C55 | 120.5 (3) |
C6'—C5'—C4' | 120.0 | C57—C56—H56 | 119.7 |
C6'—C5'—H5' | 120.0 | C55—C56—H56 | 119.7 |
C4'—C5'—H5' | 120.0 | C58—C57—C56 | 120.2 (3) |
C5'—C6'—C1' | 120.0 | C58—C57—H57 | 119.9 |
C5'—C6'—H6' | 120.0 | C56—C57—H57 | 119.9 |
C1'—C6'—H6' | 120.0 | C57—C58—C59 | 119.9 (3) |
C12—C7—C8 | 118.9 (3) | C57—C58—H58 | 120.0 |
C12—C7—P1 | 122.7 (2) | C59—C58—H58 | 120.0 |
C8—C7—P1 | 118.3 (2) | C58—C59—C60 | 120.1 (3) |
C9—C8—C7 | 120.1 (3) | C58—C59—H59 | 120.0 |
C9—C8—H8 | 119.9 | C60—C59—H59 | 120.0 |
C7—C8—H8 | 119.9 | C55—C60—C59 | 120.2 (3) |
C10—C9—C8 | 120.2 (3) | C55—C60—H60 | 119.9 |
C10—C9—H9 | 119.9 | C59—C60—H60 | 119.9 |
C8—C9—H9 | 119.9 | C62—C61—C66 | 118.0 (3) |
C9—C10—C11 | 120.2 (3) | C62—C61—P4 | 118.4 (2) |
C9—C10—H10 | 119.9 | C66—C61—P4 | 123.5 (2) |
C11—C10—H10 | 119.9 | C61—C62—C63 | 120.8 (3) |
C10—C11—C12 | 119.8 (3) | C61—C62—H62 | 119.6 |
C10—C11—H11 | 120.1 | C63—C62—H62 | 119.6 |
C12—C11—H11 | 120.1 | C64—C63—C62 | 120.5 (4) |
C11—C12—C7 | 120.7 (3) | C64—C63—H63 | 119.7 |
C11—C12—H12 | 119.6 | C62—C63—H63 | 119.7 |
C7—C12—H12 | 119.6 | C63—C64—C65 | 119.3 (3) |
C18—C13—C14 | 118.6 (3) | C63—C64—H64 | 120.3 |
C18—C13—P1 | 118.0 (2) | C65—C64—H64 | 120.3 |
C14—C13—P1 | 123.3 (2) | C64—C65—C66 | 120.8 (3) |
C15—C14—C13 | 120.1 (3) | C64—C65—H65 | 119.6 |
C15—C14—H14 | 119.9 | C66—C65—H65 | 119.6 |
C13—C14—H14 | 119.9 | C65—C66—C61 | 120.5 (3) |
C16—C15—C14 | 121.0 (3) | C65—C66—H66 | 119.8 |
C16—C15—H15 | 119.5 | C61—C66—H66 | 119.8 |
C14—C15—H15 | 119.5 | C72—C67—C68 | 118.5 (3) |
C15—C16—C17 | 119.1 (3) | C72—C67—P4 | 118.3 (2) |
C15—C16—H16 | 120.4 | C68—C67—P4 | 122.9 (3) |
C17—C16—H16 | 120.4 | C69—C68—C67 | 120.0 (4) |
C16—C17—C18 | 120.4 (3) | C69—C68—H68 | 120.0 |
C16—C17—H17 | 119.8 | C67—C68—H68 | 120.0 |
C18—C17—H17 | 119.8 | C70—C69—C68 | 120.5 (4) |
C13—C18—C17 | 120.6 (3) | C70—C69—H69 | 119.8 |
C13—C18—H18 | 119.7 | C68—C69—H69 | 119.8 |
C17—C18—H18 | 119.7 | C71—C70—C69 | 120.2 (4) |
C20—C19—C24 | 120.0 | C71—C70—H70 | 119.9 |
C20—C19—P2 | 119.7 (10) | C69—C70—H70 | 119.9 |
C24—C19—P2 | 120.3 (10) | C70—C71—C72 | 119.6 (4) |
C19—C20—C21 | 120.0 | C70—C71—H71 | 120.2 |
C19—C20—H20 | 120.0 | C72—C71—H71 | 120.2 |
C21—C20—H20 | 120.0 | C71—C72—C67 | 121.2 (3) |
C22—C21—C20 | 120.0 | C71—C72—H72 | 119.4 |
C22—C21—H21 | 120.0 | C67—C72—H72 | 119.4 |
C20—C21—H21 | 120.0 | O1—C73—O2 | 129.9 (7) |
C23—C22—C21 | 120.0 | O1—C73—C74 | 117.8 (6) |
C23—C22—H22 | 120.0 | O2—C73—C74 | 112.3 (6) |
C21—C22—H22 | 120.0 | F2—C74—F1 | 106.4 (5) |
C22—C23—C24 | 120.0 | F2—C74—F3 | 106.7 (6) |
C22—C23—H23 | 120.0 | F1—C74—F3 | 105.5 (5) |
C24—C23—H23 | 120.0 | F2—C74—C73 | 111.3 (5) |
C23—C24—C19 | 120.0 | F1—C74—C73 | 115.8 (6) |
C23—C24—H24 | 120.0 | F3—C74—C73 | 110.5 (5) |
C19—C24—H24 | 120.0 | O3—C75—C76 | 112.7 (8) |
C20'—C19'—C24' | 120.0 | O3—C75—H75A | 109.0 |
C20'—C19'—P2 | 116.4 (10) | C76—C75—H75A | 109.0 |
C24'—C19'—P2 | 123.6 (10) | O3—C75—H75B | 109.0 |
C21'—C20'—C19' | 120.0 | C76—C75—H75B | 109.0 |
C21'—C20'—H20B | 120.0 | H75A—C75—H75B | 107.8 |
C19'—C20'—H20B | 120.0 | C75—C76—H76A | 109.5 |
C20'—C21'—C22' | 120.0 | C75—C76—H76B | 109.5 |
C20'—C21'—H21B | 120.0 | H76A—C76—H76B | 109.5 |
C22'—C21'—H21B | 120.0 | C75—C76—H76C | 109.5 |
C21'—C22'—C23' | 120.0 | H76A—C76—H76C | 109.5 |
C21'—C22'—H22B | 120.0 | H76B—C76—H76C | 109.5 |
C23'—C22'—H22B | 120.0 | O2'—C73'—O1' | 129.4 (10) |
C24'—C23'—C22' | 120.0 | O2'—C73'—C74' | 106.2 (9) |
C24'—C23'—H23B | 120.0 | O1'—C73'—C74' | 124.4 (10) |
C22'—C23'—H23B | 120.0 | F2'—C74'—F3' | 110.5 (9) |
C23'—C24'—C19' | 120.0 | F2'—C74'—F1' | 116.9 (10) |
C23'—C24'—H24B | 120.0 | F3'—C74'—F1' | 107.6 (8) |
C19'—C24'—H24B | 120.0 | F2'—C74'—C73' | 99.9 (12) |
C30—C25—C26 | 118.2 (3) | F3'—C74'—C73' | 114.8 (9) |
C30—C25—P2 | 123.3 (2) | F1'—C74'—C73' | 107.2 (11) |
C26—C25—P2 | 118.4 (2) | C75'—O3'—H3' | 109.5 |
C27—C26—C25 | 120.6 (3) | O3'—C75'—C76' | 123.3 (16) |
C27—C26—H26 | 119.7 | O3'—C75'—H75C | 106.5 |
C25—C26—H26 | 119.7 | C76'—C75'—H75C | 106.5 |
C26—C27—C28 | 120.7 (3) | O3'—C75'—H75D | 106.5 |
C26—C27—H27 | 119.6 | C76'—C75'—H75D | 106.5 |
C28—C27—H27 | 119.6 | H75C—C75'—H75D | 106.5 |
C29—C28—C27 | 119.3 (3) | C75'—C76'—H76D | 109.5 |
C29—C28—H28 | 120.3 | C75'—C76'—H76E | 109.5 |
C27—C28—H28 | 120.3 | H76D—C76'—H76E | 109.5 |
C28—C29—C30 | 120.4 (3) | C75'—C76'—H76F | 109.5 |
C28—C29—H29 | 119.8 | H76D—C76'—H76F | 109.5 |
C30—C29—H29 | 119.8 | H76E—C76'—H76F | 109.5 |
P3—Ag1—P1—C1 | 171.4 (6) | C19—P2—C19'—C20' | 83 (76) |
P2—Ag1—P1—C1 | −67.6 (6) | Ag1'—P2—C19'—C20' | −31.3 (9) |
P4—Ag1—P1—C1 | 51.3 (6) | Ag1—P2—C19'—C20' | −47.3 (7) |
P3—Ag1—P1—C7 | 54.87 (11) | C31—P2—C19'—C24' | 6.7 (8) |
P2—Ag1—P1—C7 | 175.83 (11) | C25—P2—C19'—C24' | −99.8 (7) |
P4—Ag1—P1—C7 | −65.24 (11) | C19—P2—C19'—C24' | −98 (76) |
P3—Ag1—P1—C13 | −66.35 (10) | Ag1'—P2—C19'—C24' | 147.8 (6) |
P2—Ag1—P1—C13 | 54.61 (10) | Ag1—P2—C19'—C24' | 131.8 (6) |
P4—Ag1—P1—C13 | 173.54 (10) | C24'—C19'—C20'—C21' | 0.0 |
P3—Ag1—P1—C1' | 175.8 (6) | P2—C19'—C20'—C21' | 179.1 (11) |
P2—Ag1—P1—C1' | −63.3 (6) | C19'—C20'—C21'—C22' | 0.0 |
P4—Ag1—P1—C1' | 55.7 (6) | C20'—C21'—C22'—C23' | 0.0 |
P4—Ag1'—P2—C31 | −29.2 (6) | C21'—C22'—C23'—C24' | 0.0 |
P3—Ag1'—P2—C31 | 164.8 (3) | C22'—C23'—C24'—C19' | 0.0 |
P4—Ag1'—P2—C25 | 82.3 (5) | C20'—C19'—C24'—C23' | 0.0 |
P3—Ag1'—P2—C25 | −83.7 (5) | P2—C19'—C24'—C23' | −179.1 (11) |
P4—Ag1'—P2—C19 | −164.8 (7) | C31—P2—C25—C30 | −109.2 (3) |
P3—Ag1'—P2—C19 | 29.2 (9) | C19—P2—C25—C30 | −4.0 (7) |
P4—Ag1'—P2—C19' | −163.7 (7) | C19'—P2—C25—C30 | −3.9 (7) |
P3—Ag1'—P2—C19' | 30.3 (9) | Ag1'—P2—C25—C30 | 126.3 (3) |
P4—Ag1'—P2—Ag1 | −100.2 (7) | Ag1—P2—C25—C30 | 125.5 (2) |
P3—Ag1'—P2—Ag1 | 93.8 (7) | C31—P2—C25—C26 | 72.5 (2) |
P3—Ag1—P2—C31 | −178.70 (11) | C19—P2—C25—C26 | 177.8 (7) |
P1—Ag1—P2—C31 | 60.90 (11) | C19'—P2—C25—C26 | 177.8 (7) |
P4—Ag1—P2—C31 | −59.51 (11) | Ag1'—P2—C25—C26 | −52.0 (3) |
P3—Ag1—P2—C25 | −59.40 (11) | Ag1—P2—C25—C26 | −52.7 (2) |
P1—Ag1—P2—C25 | −179.80 (11) | C30—C25—C26—C27 | 0.5 (4) |
P4—Ag1—P2—C25 | 59.79 (11) | P2—C25—C26—C27 | 178.8 (2) |
P3—Ag1—P2—C19 | 61.9 (6) | C25—C26—C27—C28 | −0.3 (5) |
P1—Ag1—P2—C19 | −58.5 (6) | C26—C27—C28—C29 | −0.3 (5) |
P4—Ag1—P2—C19 | −178.9 (6) | C27—C28—C29—C30 | 0.8 (5) |
P3—Ag1—P2—C19' | 62.8 (6) | C28—C29—C30—C25 | −0.7 (5) |
P1—Ag1—P2—C19' | −57.7 (6) | C26—C25—C30—C29 | 0.1 (5) |
P4—Ag1—P2—C19' | −178.1 (6) | P2—C25—C30—C29 | −178.2 (2) |
P3—Ag1—P2—Ag1' | −62.2 (5) | C25—P2—C31—C32 | 16.6 (3) |
P1—Ag1—P2—Ag1' | 177.4 (5) | C19—P2—C31—C32 | −89.1 (6) |
P4—Ag1—P2—Ag1' | 57.0 (5) | C19'—P2—C31—C32 | −90.0 (6) |
P2—Ag1'—P3—C37 | 80.6 (5) | Ag1'—P2—C31—C32 | 126.3 (4) |
P4—Ag1'—P3—C37 | −85.6 (4) | Ag1—P2—C31—C32 | 142.7 (2) |
P2—Ag1'—P3—C43 | −165.6 (3) | C25—P2—C31—C36 | −166.7 (2) |
P4—Ag1'—P3—C43 | 28.1 (6) | C19—P2—C31—C36 | 87.6 (6) |
P2—Ag1'—P3—C49 | −29.6 (6) | C19'—P2—C31—C36 | 86.7 (6) |
P4—Ag1'—P3—C49 | 164.1 (3) | Ag1'—P2—C31—C36 | −57.0 (4) |
P2—Ag1'—P3—Ag1 | −98.5 (7) | Ag1—P2—C31—C36 | −40.6 (3) |
P4—Ag1'—P3—Ag1 | 95.2 (7) | C36—C31—C32—C33 | −1.6 (5) |
P2—Ag1—P3—C37 | 56.35 (13) | P2—C31—C32—C33 | 175.1 (3) |
P1—Ag1—P3—C37 | 177.57 (12) | C31—C32—C33—C34 | 0.1 (6) |
P4—Ag1—P3—C37 | −61.82 (13) | C32—C33—C34—C35 | 1.6 (6) |
P2—Ag1—P3—C43 | 178.52 (11) | C33—C34—C35—C36 | −1.7 (5) |
P1—Ag1—P3—C43 | −60.27 (12) | C34—C35—C36—C31 | 0.1 (5) |
P4—Ag1—P3—C43 | 60.34 (12) | C32—C31—C36—C35 | 1.6 (5) |
P2—Ag1—P3—C49 | −61.37 (11) | P2—C31—C36—C35 | −175.3 (2) |
P1—Ag1—P3—C49 | 59.85 (11) | C43—P3—C37—C42 | 6.6 (4) |
P4—Ag1—P3—C49 | −179.54 (11) | C49—P3—C37—C42 | −100.5 (3) |
P2—Ag1—P3—Ag1' | 57.3 (5) | Ag1'—P3—C37—C42 | 135.1 (4) |
P1—Ag1—P3—Ag1' | 178.5 (5) | Ag1—P3—C37—C42 | 135.4 (3) |
P4—Ag1—P3—Ag1' | −60.9 (5) | C43—P3—C37—C38 | −175.3 (3) |
P2—Ag1'—P4—C61 | 162.5 (3) | C49—P3—C37—C38 | 77.7 (3) |
P3—Ag1'—P4—C61 | −31.2 (6) | Ag1'—P3—C37—C38 | −46.7 (3) |
P2—Ag1'—P4—C67 | −86.2 (4) | Ag1—P3—C37—C38 | −46.5 (3) |
P3—Ag1'—P4—C67 | 80.1 (4) | C42—C37—C38—C39 | 1.0 (5) |
P2—Ag1'—P4—C55 | 27.4 (6) | P3—C37—C38—C39 | −177.2 (3) |
P3—Ag1'—P4—C55 | −166.3 (3) | C37—C38—C39—C40 | 0.1 (6) |
P2—Ag1'—P4—Ag1 | 101.8 (7) | C38—C39—C40—C41 | −1.3 (7) |
P3—Ag1'—P4—Ag1 | −91.9 (6) | C39—C40—C41—C42 | 1.3 (9) |
P3—Ag1—P4—C61 | −61.85 (11) | C40—C41—C42—C37 | −0.2 (8) |
P2—Ag1—P4—C61 | 178.59 (10) | C38—C37—C42—C41 | −1.0 (6) |
P1—Ag1—P4—C61 | 58.05 (11) | P3—C37—C42—C41 | 177.2 (4) |
P3—Ag1—P4—C67 | 55.44 (11) | C37—P3—C43—C44 | 81.1 (3) |
P2—Ag1—P4—C67 | −64.12 (11) | C49—P3—C43—C44 | −173.2 (3) |
P1—Ag1—P4—C67 | 175.35 (10) | Ag1'—P3—C43—C44 | −31.2 (4) |
P3—Ag1—P4—C55 | 178.76 (12) | Ag1—P3—C43—C44 | −47.8 (3) |
P2—Ag1—P4—C55 | 59.20 (12) | C37—P3—C43—C48 | −100.8 (3) |
P1—Ag1—P4—C55 | −61.33 (12) | C49—P3—C43—C48 | 4.9 (3) |
P3—Ag1—P4—Ag1' | 64.2 (5) | Ag1'—P3—C43—C48 | 146.9 (4) |
P2—Ag1—P4—Ag1' | −55.4 (5) | Ag1—P3—C43—C48 | 130.3 (3) |
P1—Ag1—P4—Ag1' | −175.9 (5) | C48—C43—C44—C45 | 0.6 (5) |
C7—P1—C1—C2 | 78.4 (8) | P3—C43—C44—C45 | 178.8 (3) |
C13—P1—C1—C2 | −176.4 (7) | C43—C44—C45—C46 | −0.7 (6) |
C1'—P1—C1—C2 | −146 (17) | C44—C45—C46—C47 | 0.1 (6) |
Ag1—P1—C1—C2 | −48.0 (10) | C45—C46—C47—C48 | 0.5 (6) |
C7—P1—C1—C6 | −104.8 (6) | C46—C47—C48—C43 | −0.5 (6) |
C13—P1—C1—C6 | 0.3 (8) | C44—C43—C48—C47 | 0.0 (5) |
C1'—P1—C1—C6 | 30 (16) | P3—C43—C48—C47 | −178.1 (3) |
Ag1—P1—C1—C6 | 128.8 (6) | C37—P3—C49—C54 | −164.6 (2) |
C6—C1—C2—C3 | 0.0 | C43—P3—C49—C54 | 88.5 (3) |
P1—C1—C2—C3 | 176.8 (12) | Ag1'—P3—C49—C54 | −55.0 (4) |
C1—C2—C3—C4 | 0.0 | Ag1—P3—C49—C54 | −38.7 (3) |
C2—C3—C4—C5 | 0.0 | C37—P3—C49—C50 | 14.2 (3) |
C3—C4—C5—C6 | 0.0 | C43—P3—C49—C50 | −92.7 (3) |
C4—C5—C6—C1 | 0.0 | Ag1'—P3—C49—C50 | 123.8 (4) |
C2—C1—C6—C5 | 0.0 | Ag1—P3—C49—C50 | 140.2 (2) |
P1—C1—C6—C5 | −176.7 (12) | C54—C49—C50—C51 | 0.6 (4) |
C1—P1—C1'—C2' | 42 (16) | P3—C49—C50—C51 | −178.2 (2) |
C7—P1—C1'—C2' | 87.7 (8) | C49—C50—C51—C52 | 0.1 (5) |
C13—P1—C1'—C2' | −167.3 (7) | C50—C51—C52—C53 | −0.8 (5) |
Ag1—P1—C1'—C2' | −41.0 (9) | C51—C52—C53—C54 | 0.8 (5) |
C1—P1—C1'—C6' | −129 (17) | C52—C53—C54—C49 | −0.1 (5) |
C7—P1—C1'—C6' | −83.8 (7) | C50—C49—C54—C53 | −0.6 (5) |
C13—P1—C1'—C6' | 21.2 (8) | P3—C49—C54—C53 | 178.3 (2) |
Ag1—P1—C1'—C6' | 147.5 (5) | C61—P4—C55—C60 | 6.4 (3) |
C6'—C1'—C2'—C3' | 0.0 | C67—P4—C55—C60 | −98.9 (3) |
P1—C1'—C2'—C3' | −171.8 (11) | Ag1'—P4—C55—C60 | 148.0 (4) |
C1'—C2'—C3'—C4' | 0.0 | Ag1—P4—C55—C60 | 130.7 (3) |
C2'—C3'—C4'—C5' | 0.0 | C61—P4—C55—C56 | −172.8 (2) |
C3'—C4'—C5'—C6' | 0.0 | C67—P4—C55—C56 | 81.9 (3) |
C4'—C5'—C6'—C1' | 0.0 | Ag1'—P4—C55—C56 | −31.3 (4) |
C2'—C1'—C6'—C5' | 0.0 | Ag1—P4—C55—C56 | −48.6 (3) |
P1—C1'—C6'—C5' | 171.1 (13) | C60—C55—C56—C57 | 0.7 (5) |
C1—P1—C7—C12 | 21.1 (7) | P4—C55—C56—C57 | −180.0 (2) |
C13—P1—C7—C12 | −87.2 (3) | C55—C56—C57—C58 | 0.3 (5) |
C1'—P1—C7—C12 | 18.1 (7) | C56—C57—C58—C59 | −0.6 (6) |
Ag1—P1—C7—C12 | 143.9 (2) | C57—C58—C59—C60 | −0.1 (6) |
C1—P1—C7—C8 | −162.3 (7) | C56—C55—C60—C59 | −1.5 (5) |
C13—P1—C7—C8 | 89.4 (3) | P4—C55—C60—C59 | 179.3 (3) |
C1'—P1—C7—C8 | −165.2 (7) | C58—C59—C60—C55 | 1.2 (6) |
Ag1—P1—C7—C8 | −39.5 (3) | C67—P4—C61—C62 | −163.8 (3) |
C12—C7—C8—C9 | 0.7 (5) | C55—P4—C61—C62 | 90.3 (3) |
P1—C7—C8—C9 | −176.1 (2) | Ag1'—P4—C61—C62 | −52.5 (4) |
C7—C8—C9—C10 | 0.3 (5) | Ag1—P4—C61—C62 | −37.6 (3) |
C8—C9—C10—C11 | −1.3 (5) | C67—P4—C61—C66 | 15.5 (3) |
C9—C10—C11—C12 | 1.2 (5) | C55—P4—C61—C66 | −90.4 (3) |
C10—C11—C12—C7 | −0.2 (5) | Ag1'—P4—C61—C66 | 126.8 (4) |
C8—C7—C12—C11 | −0.7 (5) | Ag1—P4—C61—C66 | 141.7 (3) |
P1—C7—C12—C11 | 175.9 (3) | C66—C61—C62—C63 | 0.4 (6) |
C1—P1—C13—C18 | 87.4 (6) | P4—C61—C62—C63 | 179.8 (3) |
C7—P1—C13—C18 | −168.0 (2) | C61—C62—C63—C64 | −0.1 (6) |
C1'—P1—C13—C18 | 85.3 (6) | C62—C63—C64—C65 | 0.0 (6) |
Ag1—P1—C13—C18 | −38.6 (3) | C63—C64—C65—C66 | −0.1 (6) |
C1—P1—C13—C14 | −95.8 (6) | C64—C65—C66—C61 | 0.4 (6) |
C7—P1—C13—C14 | 8.8 (3) | C62—C61—C66—C65 | −0.6 (5) |
C1'—P1—C13—C14 | −97.8 (6) | P4—C61—C66—C65 | −179.9 (3) |
Ag1—P1—C13—C14 | 138.3 (2) | C61—P4—C67—C72 | 96.1 (3) |
C18—C13—C14—C15 | 0.7 (4) | C55—P4—C67—C72 | −157.7 (2) |
P1—C13—C14—C15 | −176.2 (2) | Ag1'—P4—C67—C72 | −29.2 (3) |
C13—C14—C15—C16 | −0.1 (5) | Ag1—P4—C67—C72 | −26.8 (3) |
C14—C15—C16—C17 | −0.2 (5) | C61—P4—C67—C68 | −78.6 (3) |
C15—C16—C17—C18 | −0.1 (5) | C55—P4—C67—C68 | 27.5 (3) |
C14—C13—C18—C17 | −1.0 (5) | Ag1'—P4—C67—C68 | 156.0 (3) |
P1—C13—C18—C17 | 176.0 (3) | Ag1—P4—C67—C68 | 158.4 (2) |
C16—C17—C18—C13 | 0.8 (5) | C72—C67—C68—C69 | −1.9 (5) |
C31—P2—C19—C20 | −156.3 (6) | P4—C67—C68—C69 | 172.8 (3) |
C25—P2—C19—C20 | 97.4 (6) | C67—C68—C69—C70 | 0.8 (5) |
C19'—P2—C19—C20 | −81 (76) | C68—C69—C70—C71 | 0.9 (6) |
Ag1'—P2—C19—C20 | −14.4 (10) | C69—C70—C71—C72 | −1.5 (6) |
Ag1—P2—C19—C20 | −30.6 (8) | C70—C71—C72—C67 | 0.3 (5) |
C31—P2—C19—C24 | 21.1 (8) | C68—C67—C72—C71 | 1.4 (5) |
C25—P2—C19—C24 | −85.2 (7) | P4—C67—C72—C71 | −173.6 (3) |
C19'—P2—C19—C24 | 97 (76) | O1—C73—C74—F2 | 85.3 (7) |
Ag1'—P2—C19—C24 | 163.0 (6) | O2—C73—C74—F2 | −93.6 (9) |
Ag1—P2—C19—C24 | 146.8 (6) | O1—C73—C74—F1 | −153.1 (6) |
C24—C19—C20—C21 | 0.0 | O2—C73—C74—F1 | 28.0 (10) |
P2—C19—C20—C21 | 177.5 (11) | O1—C73—C74—F3 | −33.1 (8) |
C19—C20—C21—C22 | 0.0 | O2—C73—C74—F3 | 148.0 (8) |
C20—C21—C22—C23 | 0.0 | O2'—C73'—C74'—F2' | 31.8 (12) |
C21—C22—C23—C24 | 0.0 | O1'—C73'—C74'—F2' | −147.3 (12) |
C22—C23—C24—C19 | 0.0 | O2'—C73'—C74'—F3' | −86.3 (12) |
C20—C19—C24—C23 | 0.0 | O1'—C73'—C74'—F3' | 94.5 (13) |
P2—C19—C24—C23 | −177.4 (11) | O2'—C73'—C74'—F1' | 154.2 (11) |
C31—P2—C19'—C20' | −172.4 (5) | O1'—C73'—C74'—F1' | −25.0 (15) |
C25—P2—C19'—C20' | 81.1 (6) |
D—H···A | D—H | H···A | D···A | D—H···A |
O3—H3···O1 | 0.84 | 2.41 | 2.728 (8) | 104 |
O3′—H3′···O1′ | 0.84 | 2.03 | 2.72 (2) | 138 |
Experimental details
Crystal data | |
Chemical formula | [Ag(C18H15P)4](C2F3O)·C2H6O |
Mr | 1316.04 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 100 |
a, b, c (Å) | 11.8005 (2), 14.5169 (2), 18.4830 (3) |
α, β, γ (°) | 89.4032 (8), 85.4648 (9), 87.7804 (9) |
V (Å3) | 3153.89 (9) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 0.48 |
Crystal size (mm) | 0.20 × 0.18 × 0.16 |
Data collection | |
Diffractometer | Bruker SMART APEX diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2009) |
Tmin, Tmax | 0.910, 0.927 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 27139, 14387, 11357 |
Rint | 0.030 |
(sin θ/λ)max (Å−1) | 0.650 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.047, 0.122, 1.02 |
No. of reflections | 14387 |
No. of parameters | 868 |
No. of restraints | 218 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.72, −0.87 |
Computer programs: APEX2 (Bruker, 2009), SAINT (Bruker, 2009), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), X-SEED (Barbour, 2001), publCIF (Westrip, 2010).
D—H···A | D—H | H···A | D···A | D—H···A |
O3—H3···O1 | 0.84 | 2.41 | 2.728 (8) | 103.6 |
O3'—H3'···O1' | 0.84 | 2.03 | 2.72 (2) | 138.3 |
Acknowledgements
I thank Dr Kong Mun Lo for providing the crystal and the Ministry of Higher Education of Malaysia (grant No. UM.C/HIR/MOHE/SC/12) for supporting this study.
References
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189–191. CrossRef CAS Google Scholar
Bruker (2009). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Ng, S. W. (1998). Acta Cryst. C54, 743–744. Web of Science CSD CrossRef CAS IUCr Journals Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920–925. Web of Science CrossRef CAS IUCr Journals Google Scholar
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Silver trifluoroacetate acetate forms a mononuclear bis-adduct with triphenylphosphane when the reaction was carried out in ethanol solvent (Ng, 1998). A similar synthesis but with a 1:4 stoichiometry has yielded a salt (Scheme I, Fig. 1) in which four phosphane ligands bind to the metal atom; the trifluoacetate anion does not engaged in coordination, and is instead disordered with respect to an ethanol molecule. The disorder is such that the anion occupies two positions, as does the two solvent molecules (Fig. 2). The anion and solvent are engaged in weak hydrogen bonding (Table 1).