Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806050884/hg2143sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806050884/hg2143Isup2.hkl |
CCDC reference: 633877
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.006 Å
- Disorder in main residue
- R factor = 0.040
- wR factor = 0.094
- Data-to-parameter ratio = 19.6
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C15 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C93 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C93B PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C11 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C84 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C91 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C94 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C94B PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc.
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: SMART-NT (Bruker, 1999); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).
[AgI(C21H21P)3] | Z = 2 |
Mr = 1147.81 | F(000) = 1172 |
Triclinic, P1 | Dx = 1.36 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.0426 (13) Å | Cell parameters from 891 reflections |
b = 11.5665 (14) Å | θ = 6.1–51.2° |
c = 23.243 (3) Å | µ = 1.03 mm−1 |
α = 99.292 (3)° | T = 293 K |
β = 92.174 (2)° | Cuboid, colourless |
γ = 106.196 (2)° | 0.3 × 0.26 × 0.15 mm |
V = 2802.7 (6) Å3 |
Bruker SMART 1K CCD area-detector diffractometer | 13246 independent reflections |
Radiation source: fine-focus sealed tube | 8623 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.022 |
Detector resolution: 512 pixels mm-1 | θmax = 28°, θmin = 0.9° |
ω scans | h = −14→14 |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | k = −15→11 |
Tmin = 0.747, Tmax = 0.860 | l = −30→28 |
19391 measured reflections |
Refinement on F2 | 6 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.040 | w = 1/[σ2(Fo2) + (0.0327P)2 + 1.1965P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.094 | (Δ/σ)max < 0.001 |
S = 1.01 | Δρmax = 0.57 e Å−3 |
13246 reflections | Δρmin = −0.54 e Å−3 |
677 parameters |
Experimental. The intensity data were collected on a Siemens SMART 1 K CCD diffractometer using an exposure time of 10 s/frame. A total of 1315 frames were collected with a frame width of 0.3° covering up to θ = 28.0° with 97.9% completeness accomplished. The first 50 frames were recollected at the end of each data collection to check for decay; none was found. |
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) | |
Ag | 0.14515 (2) | 0.21085 (2) | 0.248917 (11) | 0.04531 (8) | |
I | 0.40509 (2) | 0.21196 (2) | 0.247552 (11) | 0.06297 (9) | |
P1 | 0.12590 (8) | 0.27580 (7) | 0.35685 (4) | 0.04108 (19) | |
P2 | 0.15045 (8) | 0.38249 (8) | 0.19135 (4) | 0.0472 (2) | |
P3 | −0.00408 (8) | 0.00545 (7) | 0.19679 (4) | 0.04207 (19) | |
C11 | 0.1621 (3) | 0.1794 (3) | 0.40646 (14) | 0.0435 (7) | |
C12 | 0.2345 (5) | 0.1032 (4) | 0.38875 (19) | 0.0811 (13) | |
H12 | 0.2676 | 0.1042 | 0.3526 | 0.097* | |
C13 | 0.2593 (5) | 0.0244 (4) | 0.4242 (2) | 0.0924 (15) | |
H13 | 0.308 | −0.0266 | 0.4109 | 0.111* | |
C14 | 0.2148 (4) | 0.0203 (3) | 0.47693 (18) | 0.0626 (10) | |
C15 | 0.1478 (4) | 0.0983 (4) | 0.49495 (19) | 0.0850 (14) | |
H15 | 0.1185 | 0.0996 | 0.532 | 0.102* | |
C16 | 0.1203 (4) | 0.1773 (4) | 0.46037 (17) | 0.0752 (12) | |
H16 | 0.0728 | 0.229 | 0.4745 | 0.09* | |
C17 | 0.2417 (5) | −0.0665 (4) | 0.5153 (2) | 0.0952 (16) | |
H17A | 0.2143 | −0.0473 | 0.5534 | 0.143* | |
H17B | 0.3309 | −0.0574 | 0.5186 | 0.143* | |
H17C | 0.1968 | −0.1493 | 0.4978 | 0.143* | |
C21 | 0.2325 (3) | 0.4264 (3) | 0.38682 (13) | 0.0417 (7) | |
C22 | 0.3472 (3) | 0.4409 (3) | 0.41686 (17) | 0.0601 (10) | |
H22 | 0.3672 | 0.3726 | 0.4259 | 0.072* | |
C23 | 0.4334 (3) | 0.5560 (4) | 0.43390 (18) | 0.0678 (11) | |
H23 | 0.5107 | 0.5632 | 0.4537 | 0.081* | |
C24 | 0.4069 (4) | 0.6590 (3) | 0.42223 (16) | 0.0602 (10) | |
C25 | 0.2919 (4) | 0.6451 (3) | 0.39367 (16) | 0.0612 (10) | |
H25 | 0.2709 | 0.7142 | 0.3864 | 0.073* | |
C26 | 0.2064 (3) | 0.5317 (3) | 0.37541 (16) | 0.0572 (9) | |
H26 | 0.1299 | 0.5253 | 0.3551 | 0.069* | |
C27 | 0.5046 (4) | 0.7819 (4) | 0.4402 (2) | 0.0934 (15) | |
H27A | 0.5528 | 0.8015 | 0.4078 | 0.14* | |
H27B | 0.5602 | 0.7788 | 0.4723 | 0.14* | |
H27C | 0.463 | 0.8434 | 0.452 | 0.14* | |
C31 | −0.0296 (3) | 0.2887 (3) | 0.37501 (13) | 0.0410 (7) | |
C32 | −0.0505 (3) | 0.3634 (3) | 0.42458 (14) | 0.0498 (8) | |
H32 | 0.0176 | 0.4114 | 0.4506 | 0.06* | |
C33 | −0.1719 (3) | 0.3667 (3) | 0.43537 (15) | 0.0550 (9) | |
H33 | −0.1841 | 0.417 | 0.4688 | 0.066* | |
C34 | −0.2746 (3) | 0.2974 (3) | 0.39783 (16) | 0.0554 (9) | |
C35 | −0.2543 (3) | 0.2242 (3) | 0.34844 (15) | 0.0596 (10) | |
H35 | −0.3227 | 0.1774 | 0.3222 | 0.072* | |
C36 | −0.1336 (3) | 0.2196 (3) | 0.33751 (15) | 0.0527 (8) | |
H36 | −0.1222 | 0.1688 | 0.3041 | 0.063* | |
C37 | −0.4065 (4) | 0.3021 (5) | 0.4093 (2) | 0.0953 (16) | |
H37A | −0.4028 | 0.3633 | 0.4431 | 0.143* | |
H37B | −0.4559 | 0.2238 | 0.4162 | 0.143* | |
H37C | −0.4448 | 0.3221 | 0.3759 | 0.143* | |
C41 | −0.0020 (3) | 0.4039 (3) | 0.17181 (14) | 0.0475 (8) | |
C42 | −0.0224 (3) | 0.4734 (3) | 0.13047 (16) | 0.0596 (9) | |
H42 | 0.0445 | 0.5104 | 0.1103 | 0.072* | |
C43 | −0.1403 (4) | 0.4880 (4) | 0.11916 (16) | 0.0643 (10) | |
H43 | −0.1508 | 0.5359 | 0.0919 | 0.077* | |
C44 | −0.2425 (3) | 0.4333 (3) | 0.14718 (17) | 0.0590 (9) | |
C45 | −0.2239 (4) | 0.3639 (3) | 0.18798 (19) | 0.0656 (10) | |
H45 | −0.2917 | 0.3255 | 0.2073 | 0.079* | |
C46 | −0.1051 (3) | 0.3511 (3) | 0.20029 (16) | 0.0561 (9) | |
H46 | −0.0944 | 0.3055 | 0.2286 | 0.067* | |
C47 | −0.3720 (4) | 0.4486 (4) | 0.1339 (2) | 0.0909 (14) | |
H47A | −0.4313 | 0.4042 | 0.1574 | 0.136* | 0.5 |
H47B | −0.3993 | 0.4174 | 0.0932 | 0.136* | 0.5 |
H47C | −0.3675 | 0.5338 | 0.1426 | 0.136* | 0.5 |
H47D | −0.3675 | 0.4994 | 0.1047 | 0.136* | 0.5 |
H47E | −0.3994 | 0.4862 | 0.1689 | 0.136* | 0.5 |
H47F | −0.4313 | 0.3698 | 0.1196 | 0.136* | 0.5 |
C51 | 0.2184 (3) | 0.3535 (3) | 0.12181 (14) | 0.0445 (7) | |
C52 | 0.2115 (3) | 0.2342 (3) | 0.09761 (15) | 0.0489 (8) | |
H52 | 0.1734 | 0.1715 | 0.1173 | 0.059* | |
C53 | 0.2597 (3) | 0.2055 (3) | 0.04478 (15) | 0.0515 (8) | |
H53 | 0.2524 | 0.1242 | 0.0295 | 0.062* | |
C54 | 0.3190 (3) | 0.2967 (3) | 0.01431 (15) | 0.0484 (8) | |
C55 | 0.3264 (3) | 0.4164 (3) | 0.03887 (16) | 0.0570 (9) | |
H55 | 0.3654 | 0.4793 | 0.0194 | 0.068* | |
C56 | 0.2776 (3) | 0.4445 (3) | 0.09114 (15) | 0.0543 (9) | |
H56 | 0.2842 | 0.5258 | 0.1062 | 0.065* | |
C57 | 0.3754 (4) | 0.2666 (4) | −0.04213 (17) | 0.0675 (10) | |
H57A | 0.3089 | 0.2315 | −0.0731 | 0.101* | |
H57B | 0.4219 | 0.2091 | −0.0381 | 0.101* | |
H57C | 0.4314 | 0.34 | −0.0512 | 0.101* | |
C61 | 0.2469 (3) | 0.5374 (3) | 0.22309 (14) | 0.0494 (8) | |
C62 | 0.3751 (4) | 0.5575 (4) | 0.23764 (19) | 0.0726 (11) | |
H62 | 0.4096 | 0.4923 | 0.2317 | 0.087* | |
C63 | 0.4523 (4) | 0.6742 (4) | 0.2610 (2) | 0.0811 (13) | |
H63 | 0.5383 | 0.6859 | 0.2694 | 0.097* | |
C64 | 0.4052 (5) | 0.7723 (4) | 0.27180 (18) | 0.0734 (12) | |
C65 | 0.2785 (5) | 0.7523 (4) | 0.25944 (18) | 0.0755 (12) | |
H65 | 0.2441 | 0.8173 | 0.2674 | 0.091* | |
C66 | 0.1997 (4) | 0.6368 (3) | 0.23513 (17) | 0.0656 (10) | |
H66 | 0.1139 | 0.6261 | 0.2268 | 0.079* | |
C67 | 0.4925 (5) | 0.8998 (4) | 0.2983 (2) | 0.0988 (17) | |
H67A | 0.4918 | 0.955 | 0.2716 | 0.148* | |
H67B | 0.5772 | 0.8953 | 0.3052 | 0.148* | |
H67C | 0.4632 | 0.9291 | 0.3346 | 0.148* | |
C71 | −0.1473 (3) | 0.0207 (3) | 0.16081 (14) | 0.0439 (7) | |
C72 | −0.2609 (3) | −0.0009 (3) | 0.18623 (15) | 0.0566 (9) | |
H72 | −0.2674 | −0.0316 | 0.2209 | 0.068* | |
C73 | −0.3650 (4) | 0.0224 (4) | 0.16094 (16) | 0.0653 (10) | |
H73 | −0.4397 | 0.0083 | 0.1793 | 0.078* | |
C74 | −0.3604 (3) | 0.0660 (3) | 0.10907 (16) | 0.0555 (9) | |
C75 | −0.2479 (3) | 0.0867 (3) | 0.08341 (17) | 0.0598 (9) | |
H75 | −0.2427 | 0.1149 | 0.048 | 0.072* | |
C76 | −0.1422 (3) | 0.0664 (3) | 0.10909 (16) | 0.0540 (9) | |
H76 | −0.0667 | 0.0837 | 0.0914 | 0.065* | |
C77 | −0.4755 (4) | 0.0909 (4) | 0.08200 (19) | 0.0804 (13) | |
H77A | −0.539 | 0.0148 | 0.0676 | 0.121* | |
H77B | −0.4517 | 0.1339 | 0.0502 | 0.121* | |
H77C | −0.5087 | 0.1399 | 0.111 | 0.121* | |
C81 | 0.0597 (3) | −0.0827 (3) | 0.13968 (14) | 0.0434 (7) | |
C82 | −0.0075 (4) | −0.1510 (3) | 0.08838 (16) | 0.0614 (10) | |
H82 | −0.0895 | −0.1487 | 0.0796 | 0.074* | |
C83 | 0.0458 (4) | −0.2235 (4) | 0.04947 (16) | 0.0681 (11) | |
H83 | −0.0007 | −0.2674 | 0.0147 | 0.082* | |
C84 | 0.1648 (4) | −0.2314 (3) | 0.06145 (16) | 0.0611 (10) | |
C85 | 0.2318 (4) | −0.1630 (4) | 0.11189 (19) | 0.0704 (11) | |
H85 | 0.3135 | −0.1664 | 0.1206 | 0.085* | |
C86 | 0.1812 (3) | −0.0881 (3) | 0.15071 (16) | 0.0604 (9) | |
H86 | 0.2298 | −0.0413 | 0.1844 | 0.072* | |
C87 | 0.2194 (5) | −0.3142 (4) | 0.01950 (19) | 0.0956 (16) | |
H87A | 0.1779 | −0.3981 | 0.0215 | 0.143* | |
H87B | 0.3084 | −0.2964 | 0.0301 | 0.143* | |
H87C | 0.2066 | −0.3005 | −0.0196 | 0.143* | |
C91 | −0.0626 (3) | −0.1085 (3) | 0.24329 (14) | 0.0445 (7) | |
C92 | −0.0089 (11) | −0.0844 (7) | 0.3002 (3) | 0.069 (3) | 0.648 (17) |
H92 | 0.05 | −0.0093 | 0.3149 | 0.083* | 0.648 (17) |
C93 | −0.0426 (12) | −0.1719 (8) | 0.3354 (3) | 0.085 (4) | 0.648 (17) |
H93 | −0.0065 | −0.1514 | 0.3739 | 0.102* | 0.648 (17) |
C94 | −0.1230 (18) | −0.283 (2) | 0.3184 (10) | 0.069 (4) | 0.648 (17) |
C95 | −0.1826 (17) | −0.3059 (19) | 0.2601 (11) | 0.074 (4) | 0.648 (17) |
H95 | −0.2461 | −0.3786 | 0.2467 | 0.088* | 0.648 (17) |
C96 | −0.1469 (10) | −0.2212 (12) | 0.2232 (6) | 0.064 (3) | 0.648 (17) |
H96 | −0.1807 | −0.2412 | 0.1844 | 0.076* | 0.648 (17) |
C97 | −0.1539 (14) | −0.3725 (12) | 0.3593 (6) | 0.095 (4) | 0.648 (17) |
H97A | −0.2391 | −0.3822 | 0.3696 | 0.143* | 0.648 (17) |
H97B | −0.0965 | −0.3424 | 0.3941 | 0.143* | 0.648 (17) |
H97C | −0.146 | −0.45 | 0.3407 | 0.143* | 0.648 (17) |
C92B | −0.087 (2) | −0.0716 (12) | 0.2991 (6) | 0.071 (5) | 0.352 (17) |
H92B | −0.0688 | 0.0118 | 0.3134 | 0.086* | 0.352 (17) |
C93B | −0.138 (3) | −0.1556 (13) | 0.3365 (6) | 0.088 (7) | 0.352 (17) |
H93B | −0.1545 | −0.1291 | 0.3746 | 0.106* | 0.352 (17) |
C94B | −0.162 (3) | −0.274 (4) | 0.3143 (18) | 0.061 (6) | 0.352 (17) |
C95B | −0.134 (3) | −0.314 (3) | 0.261 (2) | 0.083 (10) | 0.352 (17) |
H95B | −0.1446 | −0.3966 | 0.2483 | 0.1* | 0.352 (17) |
C96B | −0.089 (3) | −0.229 (2) | 0.2255 (11) | 0.076 (7) | 0.352 (17) |
H96B | −0.0769 | −0.2582 | 0.1871 | 0.091* | 0.352 (17) |
C97B | −0.222 (2) | −0.380 (3) | 0.3510 (12) | 0.099 (8) | 0.352 (17) |
H97D | −0.1936 | −0.3516 | 0.3917 | 0.149* | 0.352 (17) |
H97E | −0.1962 | −0.4512 | 0.3368 | 0.149* | 0.352 (17) |
H97F | −0.3131 | −0.4007 | 0.3463 | 0.149* | 0.352 (17) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag | 0.04831 (14) | 0.04667 (15) | 0.04342 (14) | 0.01687 (11) | 0.00701 (11) | 0.00893 (11) |
I | 0.04693 (13) | 0.08375 (19) | 0.06328 (16) | 0.02666 (12) | 0.00769 (11) | 0.01324 (13) |
P1 | 0.0410 (4) | 0.0427 (5) | 0.0399 (4) | 0.0145 (4) | 0.0049 (3) | 0.0041 (4) |
P2 | 0.0533 (5) | 0.0455 (5) | 0.0485 (5) | 0.0189 (4) | 0.0103 (4) | 0.0147 (4) |
P3 | 0.0458 (4) | 0.0396 (5) | 0.0411 (5) | 0.0143 (4) | 0.0027 (4) | 0.0046 (4) |
C11 | 0.0402 (17) | 0.0421 (18) | 0.0478 (19) | 0.0102 (14) | 0.0038 (14) | 0.0100 (15) |
C12 | 0.124 (4) | 0.072 (3) | 0.074 (3) | 0.059 (3) | 0.044 (3) | 0.029 (2) |
C13 | 0.137 (4) | 0.079 (3) | 0.097 (4) | 0.072 (3) | 0.045 (3) | 0.039 (3) |
C14 | 0.059 (2) | 0.057 (2) | 0.077 (3) | 0.0144 (19) | 0.004 (2) | 0.030 (2) |
C15 | 0.102 (3) | 0.115 (4) | 0.066 (3) | 0.054 (3) | 0.034 (3) | 0.046 (3) |
C16 | 0.099 (3) | 0.096 (3) | 0.058 (2) | 0.063 (3) | 0.024 (2) | 0.029 (2) |
C17 | 0.104 (4) | 0.087 (3) | 0.111 (4) | 0.030 (3) | 0.011 (3) | 0.059 (3) |
C21 | 0.0407 (16) | 0.0447 (18) | 0.0408 (17) | 0.0134 (14) | 0.0061 (14) | 0.0082 (14) |
C22 | 0.0446 (19) | 0.053 (2) | 0.084 (3) | 0.0142 (17) | −0.0025 (18) | 0.017 (2) |
C23 | 0.046 (2) | 0.064 (3) | 0.084 (3) | 0.0023 (19) | −0.0123 (19) | 0.013 (2) |
C24 | 0.066 (2) | 0.052 (2) | 0.055 (2) | 0.0043 (19) | 0.0059 (19) | 0.0118 (18) |
C25 | 0.077 (3) | 0.045 (2) | 0.062 (2) | 0.0178 (19) | −0.001 (2) | 0.0123 (18) |
C26 | 0.058 (2) | 0.054 (2) | 0.060 (2) | 0.0161 (18) | −0.0067 (18) | 0.0124 (18) |
C27 | 0.097 (3) | 0.058 (3) | 0.104 (4) | −0.010 (2) | −0.010 (3) | 0.015 (2) |
C31 | 0.0381 (16) | 0.0445 (18) | 0.0401 (17) | 0.0121 (14) | 0.0029 (13) | 0.0069 (14) |
C32 | 0.0446 (18) | 0.059 (2) | 0.0450 (19) | 0.0187 (16) | −0.0003 (15) | 0.0011 (16) |
C33 | 0.059 (2) | 0.065 (2) | 0.047 (2) | 0.0312 (19) | 0.0094 (17) | 0.0057 (17) |
C34 | 0.0467 (19) | 0.077 (3) | 0.052 (2) | 0.0274 (18) | 0.0097 (17) | 0.0204 (19) |
C35 | 0.0395 (18) | 0.080 (3) | 0.050 (2) | 0.0060 (18) | −0.0022 (16) | 0.0054 (19) |
C36 | 0.0448 (18) | 0.061 (2) | 0.0461 (19) | 0.0080 (16) | 0.0047 (15) | 0.0029 (16) |
C37 | 0.054 (2) | 0.158 (5) | 0.077 (3) | 0.041 (3) | 0.011 (2) | 0.009 (3) |
C41 | 0.0525 (19) | 0.0466 (19) | 0.0471 (19) | 0.0177 (16) | 0.0092 (15) | 0.0116 (15) |
C42 | 0.058 (2) | 0.073 (3) | 0.056 (2) | 0.0216 (19) | 0.0120 (18) | 0.0264 (19) |
C43 | 0.073 (3) | 0.071 (3) | 0.059 (2) | 0.034 (2) | 0.002 (2) | 0.019 (2) |
C44 | 0.052 (2) | 0.055 (2) | 0.072 (3) | 0.0235 (18) | 0.0031 (19) | 0.0025 (19) |
C45 | 0.057 (2) | 0.056 (2) | 0.092 (3) | 0.0204 (19) | 0.027 (2) | 0.023 (2) |
C46 | 0.058 (2) | 0.053 (2) | 0.067 (2) | 0.0239 (17) | 0.0174 (18) | 0.0226 (18) |
C47 | 0.067 (3) | 0.094 (3) | 0.120 (4) | 0.037 (3) | 0.003 (3) | 0.020 (3) |
C51 | 0.0443 (17) | 0.0455 (19) | 0.0476 (19) | 0.0163 (15) | 0.0056 (15) | 0.0131 (15) |
C52 | 0.0495 (19) | 0.0430 (19) | 0.055 (2) | 0.0113 (15) | 0.0078 (16) | 0.0146 (16) |
C53 | 0.0518 (19) | 0.047 (2) | 0.055 (2) | 0.0173 (16) | 0.0019 (16) | 0.0023 (16) |
C54 | 0.0412 (17) | 0.055 (2) | 0.051 (2) | 0.0174 (16) | 0.0049 (15) | 0.0091 (16) |
C55 | 0.064 (2) | 0.052 (2) | 0.061 (2) | 0.0188 (18) | 0.0196 (18) | 0.0202 (18) |
C56 | 0.069 (2) | 0.0404 (19) | 0.059 (2) | 0.0210 (17) | 0.0183 (18) | 0.0124 (16) |
C57 | 0.065 (2) | 0.072 (3) | 0.065 (3) | 0.022 (2) | 0.023 (2) | 0.008 (2) |
C61 | 0.059 (2) | 0.0463 (19) | 0.0461 (19) | 0.0168 (16) | 0.0114 (16) | 0.0133 (15) |
C62 | 0.063 (2) | 0.060 (3) | 0.091 (3) | 0.018 (2) | 0.012 (2) | 0.001 (2) |
C63 | 0.056 (2) | 0.083 (3) | 0.092 (3) | 0.007 (2) | 0.015 (2) | 0.001 (3) |
C64 | 0.096 (3) | 0.057 (3) | 0.065 (3) | 0.012 (2) | 0.024 (2) | 0.016 (2) |
C65 | 0.108 (4) | 0.050 (2) | 0.073 (3) | 0.031 (2) | −0.001 (3) | 0.011 (2) |
C66 | 0.083 (3) | 0.054 (2) | 0.065 (2) | 0.030 (2) | −0.005 (2) | 0.0113 (19) |
C67 | 0.124 (4) | 0.062 (3) | 0.085 (3) | −0.011 (3) | 0.014 (3) | 0.008 (2) |
C71 | 0.0483 (18) | 0.0390 (17) | 0.0444 (18) | 0.0163 (14) | 0.0021 (15) | 0.0017 (14) |
C72 | 0.056 (2) | 0.074 (3) | 0.047 (2) | 0.0266 (19) | 0.0068 (17) | 0.0142 (18) |
C73 | 0.056 (2) | 0.090 (3) | 0.058 (2) | 0.033 (2) | 0.0144 (18) | 0.013 (2) |
C74 | 0.058 (2) | 0.058 (2) | 0.053 (2) | 0.0279 (18) | 0.0007 (18) | 0.0013 (17) |
C75 | 0.065 (2) | 0.059 (2) | 0.061 (2) | 0.0201 (19) | 0.0017 (19) | 0.0225 (19) |
C76 | 0.053 (2) | 0.052 (2) | 0.061 (2) | 0.0167 (17) | 0.0100 (17) | 0.0191 (17) |
C77 | 0.076 (3) | 0.103 (3) | 0.077 (3) | 0.052 (3) | −0.002 (2) | 0.014 (3) |
C81 | 0.0484 (18) | 0.0401 (18) | 0.0444 (18) | 0.0171 (14) | 0.0043 (15) | 0.0074 (14) |
C82 | 0.059 (2) | 0.071 (3) | 0.055 (2) | 0.0265 (19) | −0.0015 (18) | 0.0000 (19) |
C83 | 0.087 (3) | 0.072 (3) | 0.045 (2) | 0.032 (2) | 0.001 (2) | −0.0043 (19) |
C84 | 0.090 (3) | 0.057 (2) | 0.052 (2) | 0.039 (2) | 0.026 (2) | 0.0209 (19) |
C85 | 0.062 (2) | 0.079 (3) | 0.085 (3) | 0.042 (2) | 0.013 (2) | 0.017 (2) |
C86 | 0.064 (2) | 0.061 (2) | 0.058 (2) | 0.0293 (19) | −0.0036 (18) | −0.0021 (18) |
C87 | 0.153 (5) | 0.098 (3) | 0.071 (3) | 0.083 (3) | 0.045 (3) | 0.026 (3) |
C91 | 0.0513 (19) | 0.0409 (19) | 0.0424 (18) | 0.0156 (15) | 0.0062 (15) | 0.0060 (14) |
C92 | 0.093 (7) | 0.049 (4) | 0.055 (4) | 0.005 (4) | −0.010 (4) | 0.011 (3) |
C93 | 0.122 (9) | 0.071 (5) | 0.051 (4) | 0.003 (5) | −0.007 (5) | 0.023 (4) |
C94 | 0.098 (11) | 0.055 (6) | 0.067 (7) | 0.039 (7) | 0.001 (7) | 0.020 (5) |
C95 | 0.084 (9) | 0.046 (7) | 0.085 (9) | 0.004 (5) | 0.013 (8) | 0.018 (6) |
C96 | 0.071 (6) | 0.051 (5) | 0.057 (5) | 0.001 (5) | −0.002 (5) | 0.009 (4) |
C97 | 0.122 (11) | 0.065 (6) | 0.095 (7) | 0.007 (7) | 0.005 (8) | 0.042 (5) |
C92B | 0.130 (17) | 0.038 (6) | 0.047 (7) | 0.029 (8) | −0.005 (9) | 0.005 (5) |
C93B | 0.16 (2) | 0.061 (9) | 0.045 (7) | 0.033 (10) | 0.017 (9) | 0.021 (6) |
C94B | 0.084 (16) | 0.055 (11) | 0.062 (12) | 0.031 (11) | 0.013 (13) | 0.038 (9) |
C95B | 0.12 (3) | 0.033 (8) | 0.089 (19) | 0.017 (16) | 0.05 (2) | 0.004 (9) |
C96B | 0.118 (19) | 0.059 (9) | 0.055 (10) | 0.030 (13) | 0.038 (13) | 0.005 (7) |
C97B | 0.092 (14) | 0.112 (14) | 0.086 (13) | −0.003 (14) | −0.008 (13) | 0.058 (11) |
Ag—P1 | 2.5346 (9) | C54—C55 | 1.388 (5) |
Ag—P2 | 2.5562 (9) | C54—C57 | 1.505 (5) |
Ag—P3 | 2.5617 (9) | C55—C56 | 1.375 (5) |
Ag—I | 2.8683 (5) | C55—H55 | 0.93 |
P1—C21 | 1.819 (3) | C56—H56 | 0.93 |
P1—C31 | 1.824 (3) | C57—H57A | 0.96 |
P1—C11 | 1.833 (3) | C57—H57B | 0.96 |
P2—C41 | 1.820 (3) | C57—H57C | 0.96 |
P2—C61 | 1.827 (3) | C61—C66 | 1.383 (5) |
P2—C51 | 1.829 (3) | C61—C62 | 1.388 (5) |
P3—C81 | 1.825 (3) | C62—C63 | 1.389 (5) |
P3—C71 | 1.826 (3) | C62—H62 | 0.93 |
P3—C91 | 1.833 (3) | C63—C64 | 1.367 (6) |
C11—C16 | 1.353 (5) | C63—H63 | 0.93 |
C11—C12 | 1.373 (5) | C64—C65 | 1.364 (6) |
C12—C13 | 1.396 (5) | C64—C67 | 1.534 (6) |
C12—H12 | 0.93 | C65—C66 | 1.390 (5) |
C13—C14 | 1.340 (6) | C65—H65 | 0.93 |
C13—H13 | 0.93 | C66—H66 | 0.93 |
C14—C15 | 1.346 (5) | C67—H67A | 0.96 |
C14—C17 | 1.524 (5) | C67—H67B | 0.96 |
C15—C16 | 1.395 (5) | C67—H67C | 0.96 |
C15—H15 | 0.93 | C71—C72 | 1.384 (4) |
C16—H16 | 0.93 | C71—C76 | 1.386 (4) |
C17—H17A | 0.96 | C72—C73 | 1.382 (5) |
C17—H17B | 0.96 | C72—H72 | 0.93 |
C17—H17C | 0.96 | C73—C74 | 1.378 (5) |
C21—C22 | 1.377 (4) | C73—H73 | 0.93 |
C21—C26 | 1.389 (4) | C74—C75 | 1.376 (5) |
C22—C23 | 1.389 (5) | C74—C77 | 1.515 (5) |
C22—H22 | 0.93 | C75—C76 | 1.385 (5) |
C23—C24 | 1.368 (5) | C75—H75 | 0.93 |
C23—H23 | 0.93 | C76—H76 | 0.93 |
C24—C25 | 1.366 (5) | C77—H77A | 0.96 |
C24—C27 | 1.509 (5) | C77—H77B | 0.96 |
C25—C26 | 1.376 (5) | C77—H77C | 0.96 |
C25—H25 | 0.93 | C81—C86 | 1.377 (4) |
C26—H26 | 0.93 | C81—C82 | 1.378 (5) |
C27—H27A | 0.96 | C82—C83 | 1.392 (5) |
C27—H27B | 0.96 | C82—H82 | 0.93 |
C27—H27C | 0.96 | C83—C84 | 1.364 (5) |
C31—C36 | 1.381 (4) | C83—H83 | 0.93 |
C31—C32 | 1.392 (4) | C84—C85 | 1.363 (5) |
C32—C33 | 1.382 (4) | C84—C87 | 1.515 (5) |
C32—H32 | 0.93 | C85—C86 | 1.390 (5) |
C33—C34 | 1.373 (5) | C85—H85 | 0.93 |
C33—H33 | 0.93 | C86—H86 | 0.93 |
C34—C35 | 1.377 (5) | C87—H87A | 0.96 |
C34—C37 | 1.504 (5) | C87—H87B | 0.96 |
C35—C36 | 1.380 (5) | C87—H87C | 0.96 |
C35—H35 | 0.93 | C91—C96B | 1.34 (2) |
C36—H36 | 0.93 | C91—C92B | 1.359 (15) |
C37—H37A | 0.96 | C91—C96 | 1.370 (13) |
C37—H37B | 0.96 | C91—C92 | 1.382 (9) |
C37—H37C | 0.96 | C92—C93 | 1.383 (10) |
C41—C46 | 1.381 (4) | C92—H92 | 0.93 |
C41—C42 | 1.398 (4) | C93—C94 | 1.33 (2) |
C42—C43 | 1.379 (5) | C93—H93 | 0.93 |
C42—H42 | 0.93 | C94—C95 | 1.44 (3) |
C43—C44 | 1.374 (5) | C94—C97 | 1.49 (2) |
C43—H43 | 0.93 | C95—C96 | 1.39 (3) |
C44—C45 | 1.382 (5) | C95—H95 | 0.93 |
C44—C47 | 1.516 (5) | C96—H96 | 0.93 |
C45—C46 | 1.385 (5) | C97—H97A | 0.96 |
C45—H45 | 0.93 | C97—H97B | 0.96 |
C46—H46 | 0.93 | C97—H97C | 0.96 |
C47—H47A | 0.96 | C92B—C93B | 1.423 (19) |
C47—H47B | 0.96 | C92B—H92B | 0.93 |
C47—H47C | 0.96 | C93B—C94B | 1.33 (4) |
C47—H47D | 0.96 | C93B—H93B | 0.93 |
C47—H47E | 0.96 | C94B—C95B | 1.33 (6) |
C47—H47F | 0.96 | C94B—C97B | 1.62 (4) |
C51—C52 | 1.384 (4) | C95B—C96B | 1.38 (5) |
C51—C56 | 1.392 (4) | C95B—H95B | 0.93 |
C52—C53 | 1.385 (4) | C96B—H96B | 0.93 |
C52—H52 | 0.93 | C97B—H97D | 0.96 |
C53—C54 | 1.390 (4) | C97B—H97E | 0.96 |
C53—H53 | 0.93 | C97B—H97F | 0.96 |
P1—Ag—P2 | 112.04 (3) | C56—C51—P2 | 124.1 (3) |
P1—Ag—P3 | 117.65 (3) | C51—C52—C53 | 121.8 (3) |
P2—Ag—P3 | 111.94 (3) | C51—C52—H52 | 119.1 |
P1—Ag—I | 102.35 (2) | C53—C52—H52 | 119.1 |
P2—Ag—I | 99.38 (2) | C52—C53—C54 | 120.9 (3) |
P3—Ag—I | 111.51 (2) | C52—C53—H53 | 119.5 |
C21—P1—C31 | 103.78 (14) | C54—C53—H53 | 119.5 |
C21—P1—C11 | 103.15 (14) | C55—C54—C53 | 117.2 (3) |
C31—P1—C11 | 103.84 (14) | C55—C54—C57 | 121.6 (3) |
C21—P1—Ag | 112.53 (10) | C53—C54—C57 | 121.2 (3) |
C31—P1—Ag | 115.08 (10) | C56—C55—C54 | 121.8 (3) |
C11—P1—Ag | 116.91 (11) | C56—C55—H55 | 119.1 |
C41—P2—C61 | 103.04 (15) | C54—C55—H55 | 119.1 |
C41—P2—C51 | 105.19 (14) | C55—C56—C51 | 121.2 (3) |
C61—P2—C51 | 102.39 (15) | C55—C56—H56 | 119.4 |
C41—P2—Ag | 116.04 (11) | C51—C56—H56 | 119.4 |
C61—P2—Ag | 118.32 (11) | C54—C57—H57A | 109.5 |
C51—P2—Ag | 110.25 (10) | C54—C57—H57B | 109.5 |
C81—P3—C71 | 104.34 (14) | H57A—C57—H57B | 109.5 |
C81—P3—C91 | 100.96 (14) | C54—C57—H57C | 109.5 |
C71—P3—C91 | 104.35 (15) | H57A—C57—H57C | 109.5 |
C81—P3—Ag | 116.80 (11) | H57B—C57—H57C | 109.5 |
C71—P3—Ag | 112.91 (10) | C66—C61—C62 | 117.2 (3) |
C91—P3—Ag | 115.84 (11) | C66—C61—P2 | 124.1 (3) |
C16—C11—C12 | 116.9 (3) | C62—C61—P2 | 118.7 (3) |
C16—C11—P1 | 123.8 (3) | C61—C62—C63 | 120.6 (4) |
C12—C11—P1 | 119.4 (3) | C61—C62—H62 | 119.7 |
C11—C12—C13 | 121.0 (4) | C63—C62—H62 | 119.7 |
C11—C12—H12 | 119.5 | C64—C63—C62 | 121.8 (4) |
C13—C12—H12 | 119.5 | C64—C63—H63 | 119.1 |
C14—C13—C12 | 121.9 (4) | C62—C63—H63 | 119.1 |
C14—C13—H13 | 119.1 | C65—C64—C63 | 117.8 (4) |
C12—C13—H13 | 119.1 | C65—C64—C67 | 121.5 (4) |
C13—C14—C15 | 116.8 (4) | C63—C64—C67 | 120.6 (5) |
C13—C14—C17 | 121.5 (4) | C64—C65—C66 | 121.4 (4) |
C15—C14—C17 | 121.6 (4) | C64—C65—H65 | 119.3 |
C14—C15—C16 | 122.7 (4) | C66—C65—H65 | 119.3 |
C14—C15—H15 | 118.6 | C61—C66—C65 | 121.1 (4) |
C16—C15—H15 | 118.6 | C61—C66—H66 | 119.4 |
C11—C16—C15 | 120.6 (4) | C65—C66—H66 | 119.4 |
C11—C16—H16 | 119.7 | C64—C67—H67A | 109.5 |
C15—C16—H16 | 119.7 | C64—C67—H67B | 109.5 |
C14—C17—H17A | 109.5 | H67A—C67—H67B | 109.5 |
C14—C17—H17B | 109.5 | C64—C67—H67C | 109.5 |
H17A—C17—H17B | 109.5 | H67A—C67—H67C | 109.5 |
C14—C17—H17C | 109.5 | H67B—C67—H67C | 109.5 |
H17A—C17—H17C | 109.5 | C72—C71—C76 | 117.4 (3) |
H17B—C17—H17C | 109.5 | C72—C71—P3 | 122.1 (3) |
C22—C21—C26 | 117.1 (3) | C76—C71—P3 | 120.3 (3) |
C22—C21—P1 | 121.8 (2) | C73—C72—C71 | 121.1 (3) |
C26—C21—P1 | 120.8 (2) | C73—C72—H72 | 119.4 |
C21—C22—C23 | 121.0 (3) | C71—C72—H72 | 119.4 |
C21—C22—H22 | 119.5 | C74—C73—C72 | 121.5 (3) |
C23—C22—H22 | 119.5 | C74—C73—H73 | 119.3 |
C24—C23—C22 | 121.4 (3) | C72—C73—H73 | 119.3 |
C24—C23—H23 | 119.3 | C75—C74—C73 | 117.6 (3) |
C22—C23—H23 | 119.3 | C75—C74—C77 | 121.7 (4) |
C25—C24—C23 | 117.7 (3) | C73—C74—C77 | 120.7 (3) |
C25—C24—C27 | 122.7 (4) | C74—C75—C76 | 121.4 (3) |
C23—C24—C27 | 119.6 (4) | C74—C75—H75 | 119.3 |
C24—C25—C26 | 121.7 (3) | C76—C75—H75 | 119.3 |
C24—C25—H25 | 119.1 | C75—C76—C71 | 121.0 (3) |
C26—C25—H25 | 119.1 | C75—C76—H76 | 119.5 |
C25—C26—C21 | 121.0 (3) | C71—C76—H76 | 119.5 |
C25—C26—H26 | 119.5 | C74—C77—H77A | 109.5 |
C21—C26—H26 | 119.5 | C74—C77—H77B | 109.5 |
C24—C27—H27A | 109.5 | H77A—C77—H77B | 109.5 |
C24—C27—H27B | 109.5 | C74—C77—H77C | 109.5 |
H27A—C27—H27B | 109.5 | H77A—C77—H77C | 109.5 |
C24—C27—H27C | 109.5 | H77B—C77—H77C | 109.5 |
H27A—C27—H27C | 109.5 | C86—C81—C82 | 117.6 (3) |
H27B—C27—H27C | 109.5 | C86—C81—P3 | 117.3 (3) |
C36—C31—C32 | 117.6 (3) | C82—C81—P3 | 124.9 (3) |
C36—C31—P1 | 118.1 (2) | C81—C82—C83 | 120.9 (3) |
C32—C31—P1 | 124.2 (2) | C81—C82—H82 | 119.5 |
C33—C32—C31 | 120.5 (3) | C83—C82—H82 | 119.5 |
C33—C32—H32 | 119.7 | C84—C83—C82 | 121.2 (4) |
C31—C32—H32 | 119.7 | C84—C83—H83 | 119.4 |
C34—C33—C32 | 121.4 (3) | C82—C83—H83 | 119.4 |
C34—C33—H33 | 119.3 | C85—C84—C83 | 117.9 (3) |
C32—C33—H33 | 119.3 | C85—C84—C87 | 121.7 (4) |
C33—C34—C35 | 118.4 (3) | C83—C84—C87 | 120.4 (4) |
C33—C34—C37 | 121.3 (3) | C84—C85—C86 | 121.7 (4) |
C35—C34—C37 | 120.3 (3) | C84—C85—H85 | 119.2 |
C34—C35—C36 | 120.7 (3) | C86—C85—H85 | 119.2 |
C34—C35—H35 | 119.7 | C81—C86—C85 | 120.6 (4) |
C36—C35—H35 | 119.7 | C81—C86—H86 | 119.7 |
C35—C36—C31 | 121.5 (3) | C85—C86—H86 | 119.7 |
C35—C36—H36 | 119.3 | C84—C87—H87A | 109.5 |
C31—C36—H36 | 119.3 | C84—C87—H87B | 109.5 |
C34—C37—H37A | 109.5 | H87A—C87—H87B | 109.5 |
C34—C37—H37B | 109.5 | C84—C87—H87C | 109.5 |
H37A—C37—H37B | 109.5 | H87A—C87—H87C | 109.5 |
C34—C37—H37C | 109.5 | H87B—C87—H87C | 109.5 |
H37A—C37—H37C | 109.5 | C96B—C91—C92B | 115.8 (12) |
H37B—C37—H37C | 109.5 | C96—C91—C92 | 117.9 (7) |
C46—C41—C42 | 116.8 (3) | C96B—C91—P3 | 124.4 (11) |
C46—C41—P2 | 118.7 (3) | C92B—C91—P3 | 119.7 (6) |
C42—C41—P2 | 124.5 (3) | C96—C91—P3 | 123.7 (6) |
C43—C42—C41 | 121.1 (3) | C92—C91—P3 | 118.0 (4) |
C43—C42—H42 | 119.5 | C91—C92—C93 | 120.0 (7) |
C41—C42—H42 | 119.5 | C91—C92—H92 | 120 |
C44—C43—C42 | 121.5 (3) | C93—C92—H92 | 120 |
C44—C43—H43 | 119.2 | C94—C93—C92 | 124.9 (11) |
C42—C43—H43 | 119.2 | C94—C93—H93 | 117.6 |
C43—C44—C45 | 118.1 (3) | C92—C93—H93 | 117.6 |
C43—C44—C47 | 121.1 (4) | C93—C94—C95 | 114.8 (16) |
C45—C44—C47 | 120.8 (4) | C93—C94—C97 | 121.3 (17) |
C44—C45—C46 | 120.5 (3) | C95—C94—C97 | 123.7 (19) |
C44—C45—H45 | 119.7 | C96—C95—C94 | 121.1 (18) |
C46—C45—H45 | 119.7 | C96—C95—H95 | 119.4 |
C41—C46—C45 | 122.0 (3) | C94—C95—H95 | 119.4 |
C41—C46—H46 | 119 | C91—C96—C95 | 120.9 (14) |
C45—C46—H46 | 119 | C91—C96—H96 | 119.5 |
C44—C47—H47A | 109.5 | C95—C96—H96 | 119.5 |
C44—C47—H47B | 109.5 | C91—C92B—C93B | 122.5 (11) |
H47A—C47—H47B | 109.5 | C91—C92B—H92B | 118.7 |
C44—C47—H47C | 109.5 | C93B—C92B—H92B | 118.7 |
H47A—C47—H47C | 109.5 | C94B—C93B—C92B | 116.7 (19) |
H47B—C47—H47C | 109.5 | C94B—C93B—H93B | 121.6 |
C44—C47—H47D | 109.5 | C92B—C93B—H93B | 121.6 |
H47A—C47—H47D | 141.1 | C93B—C94B—C95B | 123 (3) |
H47B—C47—H47D | 56.3 | C93B—C94B—C97B | 123 (3) |
H47C—C47—H47D | 56.3 | C95B—C94B—C97B | 114 (3) |
C44—C47—H47E | 109.5 | C94B—C95B—C96B | 118 (3) |
H47A—C47—H47E | 56.3 | C94B—C95B—H95B | 120.9 |
H47B—C47—H47E | 141.1 | C96B—C95B—H95B | 120.9 |
H47C—C47—H47E | 56.3 | C91—C96B—C95B | 123 (2) |
H47D—C47—H47E | 109.5 | C91—C96B—H96B | 118.3 |
C44—C47—H47F | 109.5 | C95B—C96B—H96B | 118.3 |
H47A—C47—H47F | 56.3 | C94B—C97B—H97D | 109.5 |
H47B—C47—H47F | 56.3 | C94B—C97B—H97E | 109.5 |
H47C—C47—H47F | 141.1 | H97D—C97B—H97E | 109.5 |
H47D—C47—H47F | 109.5 | C94B—C97B—H97F | 109.5 |
H47E—C47—H47F | 109.5 | H97D—C97B—H97F | 109.5 |
C52—C51—C56 | 117.2 (3) | H97E—C97B—H97F | 109.5 |
C52—C51—P2 | 118.7 (2) | ||
P2—Ag—P1—C21 | −45.40 (11) | P2—C51—C52—C53 | 179.3 (3) |
P3—Ag—P1—C21 | −177.24 (11) | C51—C52—C53—C54 | 0.9 (5) |
I—Ag—P1—C21 | 60.19 (11) | C52—C53—C54—C55 | −0.6 (5) |
P2—Ag—P1—C31 | 73.21 (11) | C52—C53—C54—C57 | 178.0 (3) |
P3—Ag—P1—C31 | −58.63 (11) | C53—C54—C55—C56 | 0.1 (5) |
I—Ag—P1—C31 | 178.80 (11) | C57—C54—C55—C56 | −178.4 (3) |
P2—Ag—P1—C11 | −164.53 (11) | C54—C55—C56—C51 | 0.0 (6) |
P3—Ag—P1—C11 | 63.63 (12) | C52—C51—C56—C55 | 0.3 (5) |
I—Ag—P1—C11 | −58.94 (11) | P2—C51—C56—C55 | −179.8 (3) |
P1—Ag—P2—C41 | −80.36 (12) | C41—P2—C61—C66 | 8.3 (3) |
P3—Ag—P2—C41 | 54.29 (13) | C51—P2—C61—C66 | 117.3 (3) |
I—Ag—P2—C41 | 172.13 (12) | Ag—P2—C61—C66 | −121.3 (3) |
P1—Ag—P2—C61 | 42.91 (13) | C41—P2—C61—C62 | −173.4 (3) |
P3—Ag—P2—C61 | 177.56 (13) | C51—P2—C61—C62 | −64.4 (3) |
I—Ag—P2—C61 | −64.59 (13) | Ag—P2—C61—C62 | 57.0 (3) |
P1—Ag—P2—C51 | 160.22 (11) | C66—C61—C62—C63 | −2.7 (6) |
P3—Ag—P2—C51 | −65.14 (12) | P2—C61—C62—C63 | 178.9 (3) |
I—Ag—P2—C51 | 52.71 (11) | C61—C62—C63—C64 | 1.7 (7) |
P1—Ag—P3—C81 | −144.81 (11) | C62—C63—C64—C65 | 0.5 (7) |
P2—Ag—P3—C81 | 83.31 (12) | C62—C63—C64—C67 | 179.2 (4) |
I—Ag—P3—C81 | −27.03 (12) | C63—C64—C65—C66 | −1.7 (6) |
P1—Ag—P3—C71 | 94.22 (12) | C67—C64—C65—C66 | 179.6 (4) |
P2—Ag—P3—C71 | −37.67 (12) | C62—C61—C66—C65 | 1.6 (6) |
I—Ag—P3—C71 | −148.01 (11) | P2—C61—C66—C65 | 179.9 (3) |
P1—Ag—P3—C91 | −26.03 (12) | C64—C65—C66—C61 | 0.6 (6) |
P2—Ag—P3—C91 | −157.91 (11) | C81—P3—C71—C72 | 133.4 (3) |
I—Ag—P3—C91 | 91.75 (12) | C91—P3—C71—C72 | 27.8 (3) |
C21—P1—C11—C16 | 77.3 (3) | Ag—P3—C71—C72 | −98.8 (3) |
C31—P1—C11—C16 | −30.7 (4) | C81—P3—C71—C76 | −53.0 (3) |
Ag—P1—C11—C16 | −158.6 (3) | C91—P3—C71—C76 | −158.5 (3) |
C21—P1—C11—C12 | −103.3 (3) | Ag—P3—C71—C76 | 74.8 (3) |
C31—P1—C11—C12 | 148.7 (3) | C76—C71—C72—C73 | −0.1 (5) |
Ag—P1—C11—C12 | 20.7 (3) | P3—C71—C72—C73 | 173.8 (3) |
C16—C11—C12—C13 | 2.3 (7) | C71—C72—C73—C74 | 1.1 (6) |
P1—C11—C12—C13 | −177.1 (4) | C72—C73—C74—C75 | −0.5 (6) |
C11—C12—C13—C14 | −0.6 (8) | C72—C73—C74—C77 | 180.0 (4) |
C12—C13—C14—C15 | −1.8 (7) | C73—C74—C75—C76 | −1.0 (6) |
C12—C13—C14—C17 | 179.7 (4) | C77—C74—C75—C76 | 178.5 (3) |
C13—C14—C15—C16 | 2.5 (7) | C74—C75—C76—C71 | 2.1 (6) |
C17—C14—C15—C16 | −179.0 (4) | C72—C71—C76—C75 | −1.5 (5) |
C12—C11—C16—C15 | −1.7 (6) | P3—C71—C76—C75 | −175.4 (3) |
P1—C11—C16—C15 | 177.7 (3) | C71—P3—C81—C86 | 167.5 (3) |
C14—C15—C16—C11 | −0.7 (7) | C91—P3—C81—C86 | −84.5 (3) |
C31—P1—C21—C22 | 137.0 (3) | Ag—P3—C81—C86 | 42.1 (3) |
C11—P1—C21—C22 | 28.9 (3) | C71—P3—C81—C82 | −17.4 (3) |
Ag—P1—C21—C22 | −98.0 (3) | C91—P3—C81—C82 | 90.6 (3) |
C31—P1—C21—C26 | −49.2 (3) | Ag—P3—C81—C82 | −142.8 (3) |
C11—P1—C21—C26 | −157.3 (3) | C86—C81—C82—C83 | 0.5 (5) |
Ag—P1—C21—C26 | 75.8 (3) | P3—C81—C82—C83 | −174.6 (3) |
C26—C21—C22—C23 | −1.1 (5) | C81—C82—C83—C84 | 1.5 (6) |
P1—C21—C22—C23 | 172.9 (3) | C82—C83—C84—C85 | −2.1 (6) |
C21—C22—C23—C24 | 0.9 (6) | C82—C83—C84—C87 | 177.9 (4) |
C22—C23—C24—C25 | 0.7 (6) | C83—C84—C85—C86 | 0.8 (6) |
C22—C23—C24—C27 | −178.5 (4) | C87—C84—C85—C86 | −179.2 (4) |
C23—C24—C25—C26 | −2.0 (6) | C82—C81—C86—C85 | −1.8 (5) |
C27—C24—C25—C26 | 177.1 (4) | P3—C81—C86—C85 | 173.7 (3) |
C24—C25—C26—C21 | 1.8 (6) | C84—C85—C86—C81 | 1.2 (6) |
C22—C21—C26—C25 | −0.2 (5) | C81—P3—C91—C96B | −20.8 (14) |
P1—C21—C26—C25 | −174.3 (3) | C71—P3—C91—C96B | 87.3 (14) |
C21—P1—C31—C36 | 149.1 (3) | Ag—P3—C91—C96B | −147.9 (14) |
C11—P1—C31—C36 | −103.3 (3) | C81—P3—C91—C92B | 162.2 (12) |
Ag—P1—C31—C36 | 25.7 (3) | C71—P3—C91—C92B | −89.8 (12) |
C21—P1—C31—C32 | −31.3 (3) | Ag—P3—C91—C92B | 35.0 (12) |
C11—P1—C31—C32 | 76.2 (3) | C81—P3—C91—C96 | −55.5 (7) |
Ag—P1—C31—C32 | −154.7 (2) | C71—P3—C91—C96 | 52.5 (7) |
C36—C31—C32—C33 | 0.3 (5) | Ag—P3—C91—C96 | 177.3 (6) |
P1—C31—C32—C33 | −179.3 (3) | C81—P3—C91—C92 | 117.6 (6) |
C31—C32—C33—C34 | −0.1 (5) | C71—P3—C91—C92 | −134.4 (6) |
C32—C33—C34—C35 | −0.4 (5) | Ag—P3—C91—C92 | −9.6 (6) |
C32—C33—C34—C37 | −179.4 (4) | C96B—C91—C92—C93 | −29.6 (12) |
C33—C34—C35—C36 | 0.9 (5) | C92B—C91—C92—C93 | 81.7 (13) |
C37—C34—C35—C36 | 179.8 (4) | C96—C91—C92—C93 | −1.3 (9) |
C34—C35—C36—C31 | −0.8 (5) | P3—C91—C92—C93 | −174.8 (5) |
C32—C31—C36—C35 | 0.2 (5) | C91—C92—C93—C94 | 2.0 (14) |
P1—C31—C36—C35 | 179.8 (3) | C92—C93—C94—C95 | −4.5 (19) |
C61—P2—C41—C46 | −114.9 (3) | C92—C93—C94—C97 | 179.8 (11) |
C51—P2—C41—C46 | 138.1 (3) | C93—C94—C95—C96 | 7 (2) |
Ag—P2—C41—C46 | 16.0 (3) | C97—C94—C95—C96 | −177.8 (13) |
C61—P2—C41—C42 | 63.4 (3) | C96B—C91—C96—C95 | 75 (3) |
C51—P2—C41—C42 | −43.5 (3) | C92B—C91—C96—C95 | −37.1 (12) |
Ag—P2—C41—C42 | −165.7 (3) | C92—C91—C96—C95 | 3.6 (12) |
C46—C41—C42—C43 | 0.1 (5) | P3—C91—C96—C95 | 176.6 (8) |
P2—C41—C42—C43 | −178.3 (3) | C94—C95—C96—C91 | −6.4 (18) |
C41—C42—C43—C44 | −1.1 (6) | C96B—C91—C92B—C93B | −0.6 (13) |
C42—C43—C44—C45 | 0.8 (6) | C96—C91—C92B—C93B | 28.9 (12) |
C42—C43—C44—C47 | −179.2 (4) | C92—C91—C92B—C93B | −84.5 (13) |
C43—C44—C45—C46 | 0.5 (6) | P3—C91—C92B—C93B | 176.7 (8) |
C47—C44—C45—C46 | −179.5 (4) | C91—C92B—C93B—C94B | 0.0 (18) |
C42—C41—C46—C45 | 1.2 (5) | C92B—C93B—C94B—C95B | 4 (3) |
P2—C41—C46—C45 | 179.6 (3) | C92B—C93B—C94B—C97B | −179.4 (16) |
C44—C45—C46—C41 | −1.5 (6) | C93B—C94B—C95B—C96B | −6 (4) |
C41—P2—C51—C52 | −100.8 (3) | C97B—C94B—C95B—C96B | 176 (2) |
C61—P2—C51—C52 | 151.8 (3) | C92B—C91—C96B—C95B | −2 (2) |
Ag—P2—C51—C52 | 25.0 (3) | C96—C91—C96B—C95B | −81 (3) |
C41—P2—C51—C56 | 79.3 (3) | C92—C91—C96B—C95B | 38 (2) |
C61—P2—C51—C56 | −28.1 (3) | P3—C91—C96B—C95B | −179.4 (17) |
Ag—P2—C51—C56 | −154.9 (3) | C94B—C95B—C96B—C91 | 6 (4) |
C56—C51—C52—C53 | −0.8 (5) |
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