Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807016662/ci2314sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807016662/ci2314Isup2.hkl |
CCDC reference: 647143
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (C-C) = 0.008 Å
- Disorder in main residue
- R factor = 0.049
- wR factor = 0.168
- Data-to-parameter ratio = 12.6
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.93 Ratio PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for Cl2 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for F3 PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for F4 PLAT308_ALERT_2_A Single Bonded Metal Atom (Unusual !) ........... Ag1 PLAT432_ALERT_2_A Short Inter X...Y Contact O2 .. C45 .. 2.53 Ang. PLAT432_ALERT_2_A Short Inter X...Y Contact C5' .. C27 .. 2.83 Ang. PLAT432_ALERT_2_A Short Inter X...Y Contact C47 .. C74' .. 2.73 Ang.
Alert level B PLAT220_ALERT_2_B Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.68 Ratio PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C35 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for Cl1 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for F1 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for F2 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O1' PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O2' PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for Cl2' PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C20 PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C22' PLAT301_ALERT_3_B Main Residue Disorder ......................... 47.00 Perc. PLAT410_ALERT_2_B Short Intra H...H Contact H24' .. H35B .. 1.87 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact Cl1' .. C39' .. 3.06 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact C5' .. C64 .. 3.01 Ang.
Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 100 Deg. PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 = 3 PLAT215_ALERT_3_C Disordered C55 has ADP max/min Ratio ....... 3.20 PLAT215_ALERT_3_C Disordered C55' has ADP max/min Ratio ....... 3.30 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.49 Ratio PLAT220_ALERT_2_C Large Non-Solvent Cl Ueq(max)/Ueq(min) ... 2.54 Ratio PLAT220_ALERT_2_C Large Non-Solvent F Ueq(max)/Ueq(min) ... 2.54 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C39 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C51' PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for Cl1' PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for F1' PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for F2' PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for F3' PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for F4' PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20' PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21' PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C22 PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O4 PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O4' PLAT410_ALERT_2_C Short Intra H...H Contact H62A .. H64 .. 1.94 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O2 .. C46 .. 2.93 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact O2' .. C61 .. 2.94 Ang. PLAT432_ALERT_2_C Short Inter X...Y Contact C5' .. C26 .. 3.12 Ang. PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 36.00 A 3 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 H
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C74 H69 Ag1 Cl2 F4 O4 P4 Sn Atom count from _chemical_formula_moiety:C107 H48 Ag1 F4 O4 P4 Sn1
8 ALERT level A = In general: serious problem 14 ALERT level B = Potentially serious problem 30 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 43 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2007).
[Ag(C26H24P2)2][Sn(C6H5)2(C6H11)(C2ClF2O2)2] | Z = 2 |
Mr = 1519.63 | F(000) = 1544 |
Triclinic, P1 | Dx = 1.452 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 11.7453 (2) Å | Cell parameters from 6891 reflections |
b = 14.7704 (2) Å | θ = 2.4–31.8° |
c = 21.1302 (3) Å | µ = 0.87 mm−1 |
α = 97.582 (1)° | T = 173 K |
β = 94.641 (1)° | Block, colourless |
γ = 105.550 (1)° | 0.49 × 0.32 × 0.16 mm |
V = 3474.62 (9) Å3 |
Bruker APEXII area-detector diffractometer | 15831 independent reflections |
Radiation source: medium-focus sealed tube | 12918 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.028 |
φ and ω scans | θmax = 27.5°, θmin = 1.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −15→15 |
Tmin = 0.735, Tmax = 0.874 | k = −19→19 |
54063 measured reflections | l = −27→27 |
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)] = 0.049 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.168 | H-atom parameters constrained |
S = 1.30 | w = 1/[σ2(Fo2) + (0.0845P)2 + 3.9457P] where P = (Fo2 + 2Fc2)/3 |
15831 reflections | (Δ/σ)max = 0.001 |
1252 parameters | Δρmax = 2.61 e Å−3 |
1021 restraints | Δρmin = −1.35 e Å−3 |
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) | |
Sn1 | 0.3267 (2) | 0.59216 (18) | 0.32429 (11) | 0.0212 (3) | 0.50 |
Cl1 | 0.0997 (5) | 0.6435 (5) | 0.1041 (2) | 0.1227 (17) | 0.50 |
Cl2 | 0.3641 (7) | 0.3912 (4) | 0.5195 (3) | 0.1347 (19) | 0.50 |
F1 | 0.3208 (9) | 0.7336 (8) | 0.0968 (5) | 0.1227 (17) | 0.50 |
F2 | 0.2868 (10) | 0.5924 (7) | 0.1070 (5) | 0.1227 (17) | 0.50 |
F3 | 0.2002 (11) | 0.4661 (11) | 0.5251 (6) | 0.1347 (19) | 0.50 |
F4 | 0.3817 (12) | 0.5544 (7) | 0.5354 (6) | 0.1347 (19) | 0.50 |
O1 | 0.3210 (5) | 0.6452 (4) | 0.2283 (3) | 0.0295 (14) | 0.50 |
O2 | 0.2339 (9) | 0.7636 (6) | 0.2241 (4) | 0.078 (3) | 0.50 |
O3 | 0.3200 (17) | 0.5560 (9) | 0.4207 (5) | 0.028 (3) | 0.50 |
O4 | 0.2743 (11) | 0.3977 (9) | 0.3921 (6) | 0.042 (3) | 0.50 |
C1 | 0.4186 (4) | 0.7304 (3) | 0.3792 (2) | 0.0217 (16) | 0.50 |
C2 | 0.5028 (5) | 0.7330 (3) | 0.4301 (2) | 0.0273 (15) | 0.50 |
H2 | 0.5165 | 0.6756 | 0.4399 | 0.033* | 0.50 |
C3 | 0.5671 (4) | 0.8197 (3) | 0.4666 (2) | 0.0278 (16) | 0.50 |
H3 | 0.6247 | 0.8215 | 0.5014 | 0.033* | 0.50 |
C4 | 0.5472 (5) | 0.9038 (3) | 0.4523 (2) | 0.0280 (16) | 0.50 |
H4 | 0.5911 | 0.9630 | 0.4773 | 0.034* | 0.50 |
C5 | 0.4629 (5) | 0.9012 (3) | 0.4014 (3) | 0.028 (2) | 0.50 |
H5 | 0.4493 | 0.9586 | 0.3916 | 0.034* | 0.50 |
C6 | 0.3987 (5) | 0.8145 (3) | 0.3649 (2) | 0.0262 (15) | 0.50 |
H6 | 0.3411 | 0.8127 | 0.3301 | 0.031* | 0.50 |
C7 | 0.1348 (8) | 0.5250 (16) | 0.3047 (7) | 0.025 (3) | 0.50 |
C8 | 0.0643 (12) | 0.5119 (17) | 0.3543 (5) | 0.038 (6) | 0.50 |
H8 | 0.0987 | 0.5350 | 0.3977 | 0.046* | 0.50 |
C9 | −0.0566 (12) | 0.4652 (14) | 0.3405 (5) | 0.050 (4) | 0.50 |
H9 | −0.1048 | 0.4562 | 0.3744 | 0.060* | 0.50 |
C10 | −0.1069 (7) | 0.4315 (10) | 0.2770 (5) | 0.036 (3) | 0.50 |
H10 | −0.1895 | 0.3995 | 0.2676 | 0.044* | 0.50 |
C11 | −0.0364 (8) | 0.4445 (9) | 0.2274 (4) | 0.037 (3) | 0.50 |
H11 | −0.0707 | 0.4215 | 0.1841 | 0.045* | 0.50 |
C12 | 0.0845 (8) | 0.4913 (12) | 0.2412 (6) | 0.038 (3) | 0.50 |
H12 | 0.1328 | 0.5003 | 0.2073 | 0.046* | 0.50 |
C13 | 0.4290 (12) | 0.5027 (12) | 0.2852 (9) | 0.028 (5) | 0.50 |
H13 | 0.4453 | 0.4632 | 0.3179 | 0.033* | 0.50 |
C14 | 0.3640 (12) | 0.4362 (11) | 0.2236 (8) | 0.033 (4) | 0.50 |
H14A | 0.2895 | 0.3932 | 0.2334 | 0.040* | 0.50 |
H14B | 0.3422 | 0.4746 | 0.1920 | 0.040* | 0.50 |
C15 | 0.4401 (13) | 0.3769 (11) | 0.1939 (9) | 0.058 (5) | 0.50 |
H15A | 0.4044 | 0.3487 | 0.1492 | 0.069* | 0.50 |
H15B | 0.4385 | 0.3239 | 0.2183 | 0.069* | 0.50 |
C16 | 0.5693 (13) | 0.4329 (12) | 0.1931 (8) | 0.062 (5) | 0.50 |
H16A | 0.6169 | 0.3870 | 0.1874 | 0.074* | 0.50 |
H16B | 0.5735 | 0.4654 | 0.1549 | 0.074* | 0.50 |
C17 | 0.6279 (11) | 0.5068 (11) | 0.2517 (7) | 0.056 (4) | 0.50 |
H17A | 0.7031 | 0.5486 | 0.2416 | 0.067* | 0.50 |
H17B | 0.6476 | 0.4744 | 0.2874 | 0.067* | 0.50 |
C18 | 0.5466 (13) | 0.5674 (9) | 0.2728 (8) | 0.043 (4) | 0.50 |
H18A | 0.5849 | 0.6125 | 0.3125 | 0.051* | 0.50 |
H18B | 0.5326 | 0.6048 | 0.2389 | 0.051* | 0.50 |
C19 | 0.2694 (5) | 0.6960 (5) | 0.2005 (4) | 0.040 (2) | 0.50 |
C20 | 0.2499 (7) | 0.6690 (6) | 0.1274 (4) | 0.051 (3) | 0.50 |
C21 | 0.2977 (8) | 0.4727 (9) | 0.4304 (6) | 0.059 (6) | 0.50 |
C22 | 0.3034 (11) | 0.4748 (7) | 0.5018 (5) | 0.058 (4) | 0.50 |
Sn1' | 0.3038 (2) | 0.5812 (2) | 0.31102 (11) | 0.0292 (4) | 0.50 |
Cl1' | 0.2833 (6) | 0.5241 (4) | 0.0652 (3) | 0.1173 (14) | 0.50 |
Cl2' | 0.3929 (2) | 0.5095 (2) | 0.55380 (13) | 0.0527 (5) | 0.50 |
F1' | 0.1086 (10) | 0.5710 (8) | 0.0934 (6) | 0.1173 (14) | 0.50 |
F2' | 0.2367 (12) | 0.6816 (7) | 0.0637 (6) | 0.1173 (14) | 0.50 |
F3' | 0.1830 (6) | 0.4559 (7) | 0.5093 (3) | 0.0527 (5) | 0.50 |
F4' | 0.2678 (6) | 0.3484 (5) | 0.5017 (3) | 0.0527 (5) | 0.50 |
O1' | 0.2710 (12) | 0.6059 (8) | 0.2095 (4) | 0.083 (3) | 0.50 |
O2' | 0.3684 (10) | 0.7266 (7) | 0.1707 (6) | 0.103 (4) | 0.50 |
O3' | 0.3313 (17) | 0.5416 (8) | 0.4116 (5) | 0.030 (3) | 0.50 |
O4' | 0.3060 (9) | 0.3869 (8) | 0.3860 (6) | 0.030 (2) | 0.50 |
C1' | 0.3646 (5) | 0.7312 (3) | 0.3484 (3) | 0.0313 (17) | 0.50 |
C2' | 0.4628 (5) | 0.7677 (4) | 0.3950 (3) | 0.037 (2) | 0.50 |
H2' | 0.5021 | 0.7261 | 0.4120 | 0.044* | 0.50 |
C3' | 0.5036 (5) | 0.8652 (4) | 0.4167 (3) | 0.040 (2) | 0.50 |
H3' | 0.5707 | 0.8901 | 0.4486 | 0.048* | 0.50 |
C4' | 0.4462 (6) | 0.9261 (3) | 0.3919 (3) | 0.039 (3) | 0.50 |
H4' | 0.4740 | 0.9927 | 0.4068 | 0.047* | 0.50 |
C5' | 0.3480 (6) | 0.8896 (4) | 0.3454 (3) | 0.040 (2) | 0.50 |
H5' | 0.3087 | 0.9312 | 0.3284 | 0.048* | 0.50 |
C6' | 0.3072 (4) | 0.7921 (4) | 0.3236 (3) | 0.0349 (18) | 0.50 |
H6' | 0.2401 | 0.7672 | 0.2918 | 0.042* | 0.50 |
C7' | 0.1182 (8) | 0.5196 (18) | 0.3038 (8) | 0.039 (5) | 0.50 |
C8' | 0.0626 (12) | 0.5157 (19) | 0.3594 (6) | 0.043 (6) | 0.50 |
H8' | 0.1077 | 0.5425 | 0.4001 | 0.052* | 0.50 |
C9' | −0.0591 (12) | 0.4725 (15) | 0.3553 (5) | 0.049 (4) | 0.50 |
H9' | −0.0971 | 0.4698 | 0.3933 | 0.058* | 0.50 |
C10' | −0.1251 (8) | 0.4333 (10) | 0.2957 (6) | 0.052 (4) | 0.50 |
H10' | −0.2082 | 0.4038 | 0.2930 | 0.062* | 0.50 |
C11' | −0.0694 (10) | 0.4372 (9) | 0.2401 (5) | 0.043 (3) | 0.50 |
H11' | −0.1146 | 0.4103 | 0.1994 | 0.051* | 0.50 |
C12' | 0.0522 (10) | 0.4803 (12) | 0.2441 (6) | 0.039 (3) | 0.50 |
H12' | 0.0902 | 0.4830 | 0.2061 | 0.047* | 0.50 |
C13' | 0.4352 (14) | 0.5122 (11) | 0.2808 (10) | 0.033 (6) | 0.50 |
H13' | 0.4696 | 0.4930 | 0.3200 | 0.039* | 0.50 |
C14' | 0.3675 (12) | 0.4201 (10) | 0.2359 (8) | 0.032 (4) | 0.50 |
H14C | 0.3219 | 0.4354 | 0.1994 | 0.038* | 0.50 |
H14D | 0.3102 | 0.3794 | 0.2595 | 0.038* | 0.50 |
C15' | 0.4528 (14) | 0.3653 (8) | 0.2102 (8) | 0.046 (4) | 0.50 |
H15C | 0.4073 | 0.3064 | 0.1809 | 0.056* | 0.50 |
H15D | 0.4963 | 0.3471 | 0.2464 | 0.056* | 0.50 |
C16' | 0.5425 (13) | 0.4302 (10) | 0.1735 (7) | 0.052 (4) | 0.50 |
H16C | 0.5927 | 0.3944 | 0.1520 | 0.062* | 0.50 |
H16D | 0.4999 | 0.4553 | 0.1407 | 0.062* | 0.50 |
C17' | 0.6189 (10) | 0.5118 (9) | 0.2255 (6) | 0.038 (3) | 0.50 |
H17C | 0.6541 | 0.4854 | 0.2605 | 0.046* | 0.50 |
H17D | 0.6845 | 0.5526 | 0.2067 | 0.046* | 0.50 |
C18' | 0.5389 (14) | 0.5703 (9) | 0.2522 (7) | 0.041 (4) | 0.50 |
H18C | 0.5872 | 0.6229 | 0.2858 | 0.049* | 0.50 |
H18D | 0.5081 | 0.5990 | 0.2172 | 0.049* | 0.50 |
C19' | 0.2908 (7) | 0.6481 (6) | 0.1643 (4) | 0.068 (3) | 0.50 |
C20' | 0.2253 (10) | 0.6095 (7) | 0.0986 (4) | 0.074 (4) | 0.50 |
C21' | 0.3107 (7) | 0.4593 (7) | 0.4248 (4) | 0.0154 (19) | 0.50 |
C22' | 0.2883 (10) | 0.4406 (7) | 0.4935 (4) | 0.030 (2) | 0.50 |
Ag1 | 0.83481 (2) | 1.043954 (19) | 0.233263 (13) | 0.02338 (9) | |
P1 | 0.95430 (10) | 1.13312 (9) | 0.33567 (5) | 0.0351 (3) | |
P2 | 1.01377 (8) | 1.11636 (8) | 0.18360 (5) | 0.0254 (2) | |
P3 | 0.74021 (11) | 0.87088 (7) | 0.22093 (6) | 0.0346 (3) | |
P4 | 0.62866 (9) | 1.05532 (7) | 0.20820 (5) | 0.0277 (2) | |
C23 | 1.0438 (5) | 1.0535 (4) | 0.3782 (2) | 0.0232 (18) | 0.50 |
C24 | 1.0833 (5) | 1.0735 (4) | 0.4437 (2) | 0.0336 (18) | 0.50 |
H24 | 1.0687 | 1.1260 | 0.4696 | 0.040* | 0.50 |
C25 | 1.1441 (6) | 1.0169 (4) | 0.4713 (2) | 0.042 (2) | 0.50 |
H25 | 1.1711 | 1.0306 | 0.5161 | 0.051* | 0.50 |
C26 | 1.1654 (5) | 0.9402 (4) | 0.4334 (3) | 0.038 (2) | 0.50 |
H26 | 1.2070 | 0.9015 | 0.4523 | 0.046* | 0.50 |
C27 | 1.1259 (5) | 0.9201 (3) | 0.3680 (3) | 0.0364 (19) | 0.50 |
H27 | 1.1405 | 0.8677 | 0.3421 | 0.044* | 0.50 |
C28 | 1.0651 (5) | 0.9768 (4) | 0.34035 (19) | 0.0280 (16) | 0.50 |
H28 | 1.0381 | 0.9630 | 0.2956 | 0.034* | 0.50 |
C29 | 0.9044 (6) | 1.1842 (6) | 0.4057 (3) | 0.024 (2) | 0.50 |
C30 | 0.8012 (6) | 1.1321 (4) | 0.4266 (3) | 0.0315 (19) | 0.50 |
H30 | 0.7642 | 1.0681 | 0.4068 | 0.038* | 0.50 |
C31 | 0.7521 (6) | 1.1735 (5) | 0.4764 (3) | 0.041 (2) | 0.50 |
H31 | 0.6815 | 1.1379 | 0.4906 | 0.049* | 0.50 |
C32 | 0.8062 (7) | 1.2672 (5) | 0.5053 (3) | 0.042 (3) | 0.50 |
H32 | 0.7726 | 1.2955 | 0.5393 | 0.051* | 0.50 |
C33 | 0.9094 (8) | 1.3193 (4) | 0.4844 (5) | 0.051 (4) | 0.50 |
H33 | 0.9464 | 1.3833 | 0.5042 | 0.061* | 0.50 |
C34 | 0.9585 (7) | 1.2778 (6) | 0.4346 (5) | 0.040 (3) | 0.50 |
H34 | 1.0291 | 1.3134 | 0.4204 | 0.048* | 0.50 |
C23' | 1.0558 (4) | 1.0982 (4) | 0.3781 (2) | 0.0219 (17) | 0.50 |
C24' | 1.1553 (4) | 1.1608 (3) | 0.4159 (3) | 0.0284 (16) | 0.50 |
H24' | 1.1704 | 1.2274 | 0.4168 | 0.034* | 0.50 |
C25' | 1.2326 (4) | 1.1257 (3) | 0.4524 (3) | 0.0333 (18) | 0.50 |
H25' | 1.3007 | 1.1685 | 0.4782 | 0.040* | 0.50 |
C26' | 1.2105 (5) | 1.0282 (4) | 0.4512 (3) | 0.0343 (18) | 0.50 |
H26' | 1.2633 | 1.0043 | 0.4761 | 0.041* | 0.50 |
C27' | 1.1109 (5) | 0.9657 (3) | 0.4134 (3) | 0.038 (2) | 0.50 |
H27' | 1.0958 | 0.8990 | 0.4125 | 0.046* | 0.50 |
C28' | 1.0336 (4) | 1.0007 (3) | 0.3769 (3) | 0.0287 (17) | 0.50 |
H28' | 0.9656 | 0.9579 | 0.3511 | 0.034* | 0.50 |
C29' | 0.8794 (6) | 1.1990 (6) | 0.3937 (4) | 0.024 (2) | 0.50 |
C30' | 0.7662 (6) | 1.1517 (5) | 0.4062 (3) | 0.039 (2) | 0.50 |
H30' | 0.7256 | 1.0908 | 0.3823 | 0.046* | 0.50 |
C31' | 0.7123 (6) | 1.1936 (6) | 0.4535 (3) | 0.045 (2) | 0.50 |
H31' | 0.6349 | 1.1613 | 0.4620 | 0.053* | 0.50 |
C32' | 0.7717 (8) | 1.2827 (6) | 0.4884 (4) | 0.047 (3) | 0.50 |
H32' | 0.7349 | 1.3113 | 0.5208 | 0.057* | 0.50 |
C33' | 0.8849 (8) | 1.3299 (5) | 0.4760 (5) | 0.055 (4) | 0.50 |
H33' | 0.9255 | 1.3909 | 0.4999 | 0.067* | 0.50 |
C34' | 0.9388 (6) | 1.2881 (6) | 0.4287 (5) | 0.047 (4) | 0.50 |
H34' | 1.0162 | 1.3204 | 0.4202 | 0.056* | 0.50 |
C35 | 1.0601 (6) | 1.2298 (4) | 0.3057 (3) | 0.071 (2) | |
H35A | 1.0174 | 1.2732 | 0.2896 | 0.085* | |
H35B | 1.1216 | 1.2670 | 0.3413 | 0.085* | |
C36 | 1.1200 (4) | 1.1889 (4) | 0.2513 (2) | 0.0450 (12) | |
H36A | 1.1674 | 1.1495 | 0.2687 | 0.054* | |
H36B | 1.1755 | 1.2421 | 0.2356 | 0.054* | |
C37 | 1.0094 (5) | 1.1699 (4) | 0.1123 (2) | 0.0283 (16) | 0.50 |
C38 | 1.0335 (7) | 1.2683 (4) | 0.1183 (2) | 0.049 (3) | 0.50 |
H38 | 1.0564 | 1.3065 | 0.1596 | 0.059* | 0.50 |
C39 | 1.0241 (8) | 1.3107 (3) | 0.0639 (3) | 0.059 (3) | 0.50 |
H39 | 1.0405 | 1.3779 | 0.0680 | 0.071* | 0.50 |
C40 | 0.9905 (7) | 1.2547 (4) | 0.0035 (3) | 0.049 (2) | 0.50 |
H40 | 0.9841 | 1.2837 | −0.0336 | 0.059* | 0.50 |
C41 | 0.9665 (6) | 1.1564 (4) | −0.00245 (19) | 0.039 (2) | 0.50 |
H41 | 0.9436 | 1.1181 | −0.0437 | 0.047* | 0.50 |
C42 | 0.9759 (5) | 1.1140 (3) | 0.0519 (3) | 0.0292 (16) | 0.50 |
H42 | 0.9595 | 1.0467 | 0.0479 | 0.035* | 0.50 |
C43 | 1.1035 (4) | 1.0292 (4) | 0.1636 (3) | 0.0289 (18) | 0.50 |
C44 | 1.0775 (4) | 0.9427 (4) | 0.1863 (3) | 0.0339 (18) | 0.50 |
H44 | 1.0118 | 0.9254 | 0.2100 | 0.041* | 0.50 |
C45 | 1.1477 (5) | 0.8816 (4) | 0.1744 (3) | 0.042 (2) | 0.50 |
H45 | 1.1300 | 0.8225 | 0.1900 | 0.050* | 0.50 |
C46 | 1.2439 (5) | 0.9069 (4) | 0.1398 (3) | 0.043 (2) | 0.50 |
H46 | 1.2919 | 0.8651 | 0.1316 | 0.051* | 0.50 |
C47 | 1.2699 (4) | 0.9934 (4) | 0.1170 (3) | 0.044 (2) | 0.50 |
H47 | 1.3356 | 1.0107 | 0.0933 | 0.053* | 0.50 |
C48 | 1.1997 (5) | 1.0545 (4) | 0.1289 (3) | 0.0349 (18) | 0.50 |
H48 | 1.2174 | 1.1136 | 0.1134 | 0.042* | 0.50 |
C37' | 1.0022 (4) | 1.2159 (3) | 0.1379 (2) | 0.0222 (14) | 0.50 |
C38' | 1.1006 (3) | 1.2865 (4) | 0.1274 (3) | 0.0276 (17) | 0.50 |
H38' | 1.1780 | 1.2888 | 0.1460 | 0.033* | 0.50 |
C39' | 1.0860 (4) | 1.3538 (4) | 0.0896 (3) | 0.0363 (19) | 0.50 |
H39' | 1.1533 | 1.4021 | 0.0824 | 0.044* | 0.50 |
C40' | 0.9729 (5) | 1.3505 (4) | 0.0625 (3) | 0.039 (2) | 0.50 |
H40' | 0.9629 | 1.3965 | 0.0367 | 0.047* | 0.50 |
C41' | 0.8744 (4) | 1.2799 (4) | 0.0730 (3) | 0.0379 (19) | 0.50 |
H41' | 0.7971 | 1.2776 | 0.0544 | 0.046* | 0.50 |
C42' | 0.8890 (4) | 1.2126 (3) | 0.1108 (3) | 0.0279 (16) | 0.50 |
H42' | 0.8217 | 1.1643 | 0.1180 | 0.033* | 0.50 |
C43' | 1.0957 (5) | 1.0515 (4) | 0.1367 (2) | 0.0229 (15) | 0.50 |
C44' | 1.1335 (6) | 0.9829 (4) | 0.1647 (2) | 0.039 (2) | 0.50 |
H44' | 1.1261 | 0.9785 | 0.2087 | 0.047* | 0.50 |
C45' | 1.1822 (6) | 0.9206 (4) | 0.1282 (3) | 0.043 (2) | 0.50 |
H45' | 1.2081 | 0.8737 | 0.1474 | 0.052* | 0.50 |
C46' | 1.1931 (6) | 0.9270 (4) | 0.0638 (3) | 0.0378 (19) | 0.50 |
H46' | 1.2263 | 0.8844 | 0.0389 | 0.045* | 0.50 |
C47' | 1.1552 (6) | 0.9956 (5) | 0.0359 (2) | 0.048 (2) | 0.50 |
H47' | 1.1626 | 1.0000 | −0.0081 | 0.058* | 0.50 |
C48' | 1.1065 (6) | 1.0579 (4) | 0.0723 (3) | 0.039 (2) | 0.50 |
H48' | 1.0807 | 1.1048 | 0.0532 | 0.047* | 0.50 |
C49 | 0.7244 (9) | 0.7974 (7) | 0.1445 (3) | 0.030 (3) | 0.50 |
C50 | 0.6254 (8) | 0.7197 (8) | 0.1234 (5) | 0.042 (3) | 0.50 |
H50 | 0.5629 | 0.7049 | 0.1494 | 0.051* | 0.50 |
C51 | 0.6180 (8) | 0.6638 (6) | 0.0640 (5) | 0.055 (5) | 0.50 |
H51 | 0.5503 | 0.6107 | 0.0496 | 0.066* | 0.50 |
C52 | 0.7095 (9) | 0.6854 (6) | 0.0259 (4) | 0.056 (4) | 0.50 |
H52 | 0.7044 | 0.6472 | −0.0147 | 0.067* | 0.50 |
C53 | 0.8085 (8) | 0.7631 (6) | 0.0470 (3) | 0.059 (3) | 0.50 |
H53 | 0.8710 | 0.7779 | 0.0210 | 0.070* | 0.50 |
C54 | 0.8159 (7) | 0.8190 (5) | 0.1064 (3) | 0.047 (2) | 0.50 |
H54 | 0.8836 | 0.8721 | 0.1208 | 0.056* | 0.50 |
C55 | 0.8058 (10) | 0.8057 (8) | 0.2796 (4) | 0.026 (3) | 0.50 |
C56 | 0.8742 (13) | 0.7484 (11) | 0.2559 (4) | 0.036 (4) | 0.50 |
H56 | 0.8861 | 0.7424 | 0.2117 | 0.043* | 0.50 |
C57 | 0.9253 (13) | 0.6998 (10) | 0.2967 (6) | 0.041 (3) | 0.50 |
H57 | 0.9721 | 0.6606 | 0.2805 | 0.049* | 0.50 |
C58 | 0.9080 (10) | 0.7085 (9) | 0.3613 (6) | 0.040 (3) | 0.50 |
H58 | 0.9429 | 0.6753 | 0.3892 | 0.048* | 0.50 |
C59 | 0.8396 (8) | 0.7658 (9) | 0.3850 (4) | 0.041 (3) | 0.50 |
H59 | 0.8277 | 0.7718 | 0.4291 | 0.049* | 0.50 |
C60 | 0.7885 (7) | 0.8144 (7) | 0.3441 (5) | 0.033 (3) | 0.50 |
H60 | 0.7417 | 0.8536 | 0.3603 | 0.040* | 0.50 |
C49' | 0.7158 (9) | 0.8031 (7) | 0.1369 (3) | 0.045 (5) | 0.50 |
C50' | 0.6530 (11) | 0.7071 (7) | 0.1252 (5) | 0.050 (4) | 0.50 |
H50' | 0.6232 | 0.6761 | 0.1596 | 0.059* | 0.50 |
C51' | 0.6339 (11) | 0.6564 (5) | 0.0631 (6) | 0.076 (8) | 0.50 |
H51' | 0.5910 | 0.5908 | 0.0551 | 0.091* | 0.50 |
C52' | 0.6775 (9) | 0.7017 (7) | 0.0128 (4) | 0.067 (5) | 0.50 |
H52' | 0.6644 | 0.6671 | −0.0296 | 0.080* | 0.50 |
C53' | 0.7402 (7) | 0.7977 (7) | 0.0246 (3) | 0.055 (3) | 0.50 |
H53' | 0.7700 | 0.8287 | −0.0098 | 0.067* | 0.50 |
C54' | 0.7594 (6) | 0.8484 (5) | 0.0866 (3) | 0.039 (2) | 0.50 |
H54' | 0.8023 | 0.9140 | 0.0946 | 0.047* | 0.50 |
C55' | 0.7755 (10) | 0.7936 (8) | 0.2709 (4) | 0.027 (3) | 0.50 |
C56' | 0.8548 (13) | 0.7418 (12) | 0.2551 (5) | 0.042 (5) | 0.50 |
H56' | 0.8751 | 0.7345 | 0.2125 | 0.050* | 0.50 |
C57' | 0.9044 (13) | 0.7005 (12) | 0.3016 (7) | 0.050 (4) | 0.50 |
H57' | 0.9586 | 0.6651 | 0.2907 | 0.060* | 0.50 |
C58' | 0.8747 (10) | 0.7110 (10) | 0.3639 (6) | 0.043 (3) | 0.50 |
H58' | 0.9086 | 0.6828 | 0.3957 | 0.051* | 0.50 |
C59' | 0.7953 (7) | 0.7629 (8) | 0.3798 (4) | 0.036 (3) | 0.50 |
H59' | 0.7750 | 0.7701 | 0.4224 | 0.044* | 0.50 |
C60' | 0.7457 (7) | 0.8041 (6) | 0.3333 (5) | 0.028 (2) | 0.50 |
H60' | 0.6915 | 0.8395 | 0.3441 | 0.034* | 0.50 |
C61 | 0.5866 (5) | 0.8688 (3) | 0.2363 (3) | 0.0544 (15) | |
H61A | 0.5347 | 0.8024 | 0.2269 | 0.065* | |
H61B | 0.5863 | 0.8933 | 0.2822 | 0.065* | |
C62 | 0.5384 (4) | 0.9294 (3) | 0.1945 (3) | 0.0520 (14) | |
H62A | 0.4560 | 0.9265 | 0.2030 | 0.062* | |
H62B | 0.5354 | 0.9024 | 0.1487 | 0.062* | |
C63 | 0.5484 (7) | 1.1143 (5) | 0.2659 (4) | 0.026 (3) | 0.50 |
C64 | 0.4438 (7) | 1.0673 (4) | 0.2882 (4) | 0.032 (2) | 0.50 |
H64 | 0.4076 | 1.0015 | 0.2728 | 0.039* | 0.50 |
C65 | 0.3922 (6) | 1.1165 (6) | 0.3328 (4) | 0.043 (3) | 0.50 |
H65 | 0.3208 | 1.0844 | 0.3479 | 0.051* | 0.50 |
C66 | 0.4451 (8) | 1.2128 (5) | 0.3552 (4) | 0.042 (3) | 0.50 |
H66 | 0.4099 | 1.2464 | 0.3856 | 0.051* | 0.50 |
C67 | 0.5497 (8) | 1.2598 (4) | 0.3329 (4) | 0.056 (3) | 0.50 |
H67 | 0.5859 | 1.3256 | 0.3483 | 0.067* | 0.50 |
C68 | 0.6013 (7) | 1.2106 (5) | 0.2883 (4) | 0.048 (3) | 0.50 |
H68 | 0.6727 | 1.2427 | 0.2732 | 0.058* | 0.50 |
C69 | 0.5863 (6) | 1.0847 (4) | 0.13523 (18) | 0.025 (2) | 0.50 |
C70 | 0.5839 (5) | 1.0271 (3) | 0.0773 (2) | 0.0261 (15) | 0.50 |
H70 | 0.6022 | 0.9682 | 0.0771 | 0.031* | 0.50 |
C71 | 0.5547 (5) | 1.0556 (4) | 0.01946 (18) | 0.0313 (17) | 0.50 |
H71 | 0.5530 | 1.0162 | −0.0202 | 0.038* | 0.50 |
C72 | 0.5279 (6) | 1.1418 (4) | 0.0196 (2) | 0.0341 (19) | 0.50 |
H72 | 0.5079 | 1.1613 | −0.0199 | 0.041* | 0.50 |
C73 | 0.5303 (6) | 1.1994 (3) | 0.0776 (3) | 0.0344 (19) | 0.50 |
H73 | 0.5120 | 1.2583 | 0.0777 | 0.041* | 0.50 |
C74 | 0.5595 (6) | 1.1709 (4) | 0.1354 (2) | 0.0275 (16) | 0.50 |
H74 | 0.5612 | 1.2103 | 0.1750 | 0.033* | 0.50 |
C63' | 0.5761 (6) | 1.1219 (4) | 0.2714 (3) | 0.023 (2) | 0.50 |
C64' | 0.4560 (6) | 1.1006 (4) | 0.2793 (3) | 0.030 (2) | 0.50 |
H64' | 0.4011 | 1.0458 | 0.2542 | 0.036* | 0.50 |
C65' | 0.4161 (4) | 1.1594 (5) | 0.3238 (3) | 0.036 (2) | 0.50 |
H65' | 0.3340 | 1.1448 | 0.3292 | 0.044* | 0.50 |
C66' | 0.4965 (6) | 1.2395 (5) | 0.3605 (3) | 0.033 (2) | 0.50 |
H66' | 0.4693 | 1.2797 | 0.3909 | 0.040* | 0.50 |
C67' | 0.6166 (5) | 1.2608 (4) | 0.3526 (3) | 0.042 (2) | 0.50 |
H67' | 0.6715 | 1.3156 | 0.3777 | 0.050* | 0.50 |
C68' | 0.6565 (5) | 1.2020 (5) | 0.3081 (3) | 0.0307 (18) | 0.50 |
H68' | 0.7386 | 1.2166 | 0.3027 | 0.037* | 0.50 |
C69' | 0.5882 (5) | 1.1143 (5) | 0.1357 (2) | 0.026 (2) | 0.50 |
C70' | 0.6761 (4) | 1.1382 (5) | 0.0957 (3) | 0.041 (2) | 0.50 |
H70' | 0.7504 | 1.1256 | 0.1046 | 0.049* | 0.50 |
C71' | 0.6552 (5) | 1.1806 (5) | 0.0426 (3) | 0.049 (2) | 0.50 |
H71' | 0.7153 | 1.1969 | 0.0152 | 0.059* | 0.50 |
C72' | 0.5465 (6) | 1.1990 (5) | 0.0296 (3) | 0.042 (2) | 0.50 |
H72' | 0.5322 | 1.2280 | −0.0067 | 0.050* | 0.50 |
C73' | 0.4585 (4) | 1.1751 (5) | 0.0696 (3) | 0.038 (2) | 0.50 |
H73' | 0.3842 | 1.1878 | 0.0607 | 0.045* | 0.50 |
C74' | 0.4794 (4) | 1.1328 (5) | 0.1227 (2) | 0.0283 (16) | 0.50 |
H74' | 0.4193 | 1.1165 | 0.1501 | 0.034* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sn1 | 0.0258 (7) | 0.0161 (6) | 0.0219 (7) | 0.0065 (5) | 0.0011 (4) | 0.0035 (5) |
Cl1 | 0.144 (4) | 0.132 (4) | 0.066 (2) | 0.003 (3) | −0.032 (2) | 0.024 (2) |
Cl2 | 0.210 (5) | 0.105 (3) | 0.103 (3) | 0.059 (3) | 0.010 (3) | 0.045 (3) |
F1 | 0.144 (4) | 0.132 (4) | 0.066 (2) | 0.003 (3) | −0.032 (2) | 0.024 (2) |
F2 | 0.144 (4) | 0.132 (4) | 0.066 (2) | 0.003 (3) | −0.032 (2) | 0.024 (2) |
F3 | 0.210 (5) | 0.105 (3) | 0.103 (3) | 0.059 (3) | 0.010 (3) | 0.045 (3) |
F4 | 0.210 (5) | 0.105 (3) | 0.103 (3) | 0.059 (3) | 0.010 (3) | 0.045 (3) |
O1 | 0.020 (3) | 0.031 (3) | 0.036 (3) | 0.000 (2) | −0.004 (2) | 0.016 (3) |
O2 | 0.121 (7) | 0.084 (6) | 0.050 (4) | 0.076 (5) | −0.017 (4) | 0.000 (4) |
O3 | 0.040 (5) | 0.021 (4) | 0.021 (4) | 0.009 (4) | 0.009 (3) | −0.011 (3) |
O4 | 0.051 (6) | 0.036 (5) | 0.036 (5) | 0.006 (4) | 0.011 (4) | 0.003 (4) |
C1 | 0.024 (4) | 0.023 (4) | 0.021 (4) | 0.010 (3) | 0.005 (3) | 0.006 (3) |
C2 | 0.031 (4) | 0.022 (3) | 0.029 (4) | 0.007 (3) | 0.002 (3) | 0.007 (3) |
C3 | 0.027 (3) | 0.031 (4) | 0.023 (3) | 0.006 (3) | 0.000 (3) | 0.003 (3) |
C4 | 0.030 (4) | 0.022 (3) | 0.027 (4) | 0.002 (3) | 0.009 (3) | −0.004 (3) |
C5 | 0.038 (5) | 0.019 (4) | 0.028 (4) | 0.007 (4) | 0.003 (3) | 0.003 (3) |
C6 | 0.033 (4) | 0.024 (4) | 0.023 (3) | 0.012 (3) | 0.001 (3) | 0.001 (3) |
C7 | 0.034 (5) | 0.022 (6) | 0.026 (6) | 0.014 (4) | 0.013 (4) | 0.009 (5) |
C8 | 0.047 (9) | 0.030 (8) | 0.036 (7) | 0.009 (6) | 0.014 (6) | −0.002 (5) |
C9 | 0.053 (7) | 0.046 (7) | 0.048 (6) | 0.004 (5) | 0.031 (6) | 0.000 (5) |
C10 | 0.030 (5) | 0.027 (5) | 0.052 (6) | 0.007 (4) | 0.019 (5) | 0.000 (5) |
C11 | 0.028 (5) | 0.047 (6) | 0.043 (5) | 0.012 (5) | 0.023 (4) | 0.014 (5) |
C12 | 0.031 (5) | 0.045 (6) | 0.045 (6) | 0.016 (5) | 0.012 (5) | 0.013 (5) |
C13 | 0.026 (7) | 0.020 (6) | 0.038 (7) | 0.009 (4) | 0.002 (5) | 0.006 (5) |
C14 | 0.031 (5) | 0.031 (6) | 0.035 (6) | 0.007 (4) | 0.002 (4) | 0.001 (5) |
C15 | 0.056 (7) | 0.053 (8) | 0.069 (9) | 0.031 (6) | 0.008 (6) | −0.005 (6) |
C16 | 0.047 (7) | 0.058 (7) | 0.083 (9) | 0.022 (6) | 0.020 (7) | −0.004 (6) |
C17 | 0.037 (6) | 0.056 (7) | 0.076 (8) | 0.015 (5) | 0.018 (6) | 0.008 (6) |
C18 | 0.035 (5) | 0.035 (6) | 0.056 (8) | 0.013 (4) | 0.004 (5) | −0.003 (5) |
C19 | 0.051 (5) | 0.046 (5) | 0.031 (4) | 0.019 (4) | 0.008 (4) | 0.022 (4) |
C20 | 0.082 (6) | 0.031 (4) | 0.031 (4) | 0.006 (4) | −0.023 (4) | 0.013 (4) |
C21 | 0.058 (8) | 0.051 (8) | 0.059 (9) | 0.006 (6) | 0.003 (6) | 0.000 (6) |
C22 | 0.087 (8) | 0.031 (7) | 0.045 (6) | 0.008 (6) | 0.010 (6) | −0.012 (5) |
Sn1' | 0.0342 (10) | 0.0237 (6) | 0.0313 (10) | 0.0082 (6) | 0.0127 (6) | 0.0043 (6) |
Cl1' | 0.160 (4) | 0.089 (3) | 0.104 (3) | 0.036 (3) | 0.015 (3) | 0.017 (2) |
Cl2' | 0.0505 (12) | 0.0691 (15) | 0.0388 (11) | 0.0200 (11) | 0.0045 (9) | 0.0039 (10) |
F1' | 0.160 (4) | 0.089 (3) | 0.104 (3) | 0.036 (3) | 0.015 (3) | 0.017 (2) |
F2' | 0.160 (4) | 0.089 (3) | 0.104 (3) | 0.036 (3) | 0.015 (3) | 0.017 (2) |
F3' | 0.0505 (12) | 0.0691 (15) | 0.0388 (11) | 0.0200 (11) | 0.0045 (9) | 0.0039 (10) |
F4' | 0.0505 (12) | 0.0691 (15) | 0.0388 (11) | 0.0200 (11) | 0.0045 (9) | 0.0039 (10) |
O1' | 0.126 (8) | 0.079 (6) | 0.057 (5) | 0.035 (6) | 0.030 (6) | 0.027 (5) |
O2' | 0.092 (7) | 0.093 (7) | 0.110 (7) | 0.004 (5) | 0.015 (6) | 0.014 (6) |
O3' | 0.037 (5) | 0.022 (5) | 0.029 (5) | 0.013 (4) | 0.004 (4) | −0.015 (3) |
O4' | 0.034 (5) | 0.020 (3) | 0.033 (4) | 0.005 (3) | 0.013 (3) | −0.003 (3) |
C1' | 0.036 (4) | 0.025 (4) | 0.038 (4) | 0.012 (3) | 0.015 (4) | 0.010 (3) |
C2' | 0.039 (5) | 0.030 (5) | 0.042 (5) | 0.010 (4) | 0.007 (4) | 0.006 (4) |
C3' | 0.038 (5) | 0.036 (5) | 0.043 (5) | 0.006 (4) | 0.004 (4) | 0.005 (4) |
C4' | 0.050 (5) | 0.029 (5) | 0.044 (5) | 0.015 (4) | 0.014 (4) | 0.006 (4) |
C5' | 0.046 (5) | 0.031 (4) | 0.047 (5) | 0.014 (4) | 0.016 (4) | 0.012 (4) |
C6' | 0.036 (4) | 0.034 (4) | 0.037 (4) | 0.010 (3) | 0.012 (3) | 0.009 (3) |
C7' | 0.042 (6) | 0.031 (7) | 0.053 (9) | 0.022 (5) | 0.007 (6) | 0.009 (6) |
C8' | 0.040 (9) | 0.046 (10) | 0.046 (8) | 0.015 (7) | 0.017 (7) | 0.003 (7) |
C9' | 0.048 (7) | 0.045 (7) | 0.057 (6) | 0.019 (5) | 0.017 (5) | 0.005 (6) |
C10' | 0.049 (6) | 0.037 (6) | 0.073 (8) | 0.014 (5) | 0.003 (6) | 0.019 (6) |
C11' | 0.050 (7) | 0.036 (5) | 0.037 (6) | 0.002 (5) | 0.003 (5) | 0.012 (5) |
C12' | 0.053 (7) | 0.038 (6) | 0.030 (5) | 0.016 (6) | 0.005 (5) | 0.013 (4) |
C13' | 0.035 (8) | 0.020 (7) | 0.042 (8) | 0.006 (5) | 0.008 (6) | 0.000 (5) |
C14' | 0.035 (5) | 0.023 (5) | 0.036 (7) | 0.006 (4) | 0.007 (4) | 0.007 (5) |
C15' | 0.058 (7) | 0.024 (5) | 0.054 (7) | 0.007 (5) | 0.024 (5) | −0.004 (5) |
C16' | 0.043 (7) | 0.049 (6) | 0.062 (7) | 0.018 (5) | 0.017 (6) | −0.009 (5) |
C17' | 0.023 (4) | 0.042 (5) | 0.052 (6) | 0.010 (4) | 0.011 (4) | 0.007 (5) |
C18' | 0.038 (6) | 0.033 (5) | 0.046 (7) | −0.003 (4) | 0.016 (5) | 0.008 (5) |
C19' | 0.095 (8) | 0.032 (5) | 0.063 (7) | 0.003 (5) | −0.012 (6) | 0.001 (5) |
C20' | 0.080 (8) | 0.094 (8) | 0.048 (6) | 0.029 (7) | 0.001 (6) | 0.005 (6) |
C21' | 0.017 (4) | 0.018 (4) | 0.007 (3) | 0.002 (3) | −0.003 (3) | −0.003 (3) |
C22' | 0.050 (5) | 0.020 (5) | 0.020 (4) | 0.015 (4) | 0.001 (3) | −0.004 (4) |
Ag1 | 0.02703 (15) | 0.02058 (15) | 0.02196 (15) | 0.00455 (11) | 0.00564 (10) | 0.00431 (10) |
P1 | 0.0313 (5) | 0.0403 (6) | 0.0224 (5) | −0.0052 (4) | 0.0106 (4) | −0.0082 (4) |
P2 | 0.0221 (4) | 0.0356 (5) | 0.0187 (4) | 0.0066 (4) | 0.0049 (3) | 0.0069 (4) |
P3 | 0.0498 (7) | 0.0188 (5) | 0.0351 (6) | 0.0045 (4) | 0.0264 (5) | 0.0021 (4) |
P4 | 0.0267 (5) | 0.0267 (5) | 0.0247 (5) | 0.0014 (4) | 0.0074 (4) | −0.0027 (4) |
C23 | 0.015 (3) | 0.026 (5) | 0.024 (4) | −0.003 (4) | 0.003 (3) | 0.005 (4) |
C24 | 0.035 (4) | 0.038 (4) | 0.028 (4) | 0.015 (3) | −0.007 (3) | 0.003 (3) |
C25 | 0.047 (5) | 0.050 (5) | 0.034 (4) | 0.021 (4) | −0.011 (4) | 0.014 (4) |
C26 | 0.030 (4) | 0.039 (4) | 0.046 (5) | 0.012 (4) | −0.009 (4) | 0.015 (4) |
C27 | 0.029 (4) | 0.032 (4) | 0.048 (5) | 0.012 (3) | 0.001 (3) | 0.002 (4) |
C28 | 0.028 (4) | 0.027 (4) | 0.028 (4) | 0.009 (3) | 0.000 (3) | 0.001 (3) |
C29 | 0.032 (4) | 0.029 (4) | 0.017 (4) | 0.014 (4) | 0.003 (3) | 0.008 (3) |
C30 | 0.040 (5) | 0.029 (4) | 0.028 (4) | 0.013 (3) | 0.014 (4) | 0.004 (3) |
C31 | 0.049 (5) | 0.046 (5) | 0.036 (5) | 0.023 (4) | 0.020 (4) | 0.014 (4) |
C32 | 0.056 (6) | 0.051 (5) | 0.034 (5) | 0.032 (5) | 0.018 (4) | 0.013 (4) |
C33 | 0.067 (7) | 0.041 (6) | 0.046 (6) | 0.024 (5) | 0.009 (5) | −0.005 (5) |
C34 | 0.044 (5) | 0.039 (6) | 0.037 (6) | 0.012 (5) | 0.014 (4) | −0.001 (4) |
C23' | 0.021 (3) | 0.027 (4) | 0.017 (3) | 0.003 (3) | 0.008 (3) | 0.001 (3) |
C24' | 0.029 (4) | 0.029 (4) | 0.026 (4) | 0.009 (3) | −0.002 (3) | 0.002 (3) |
C25' | 0.031 (4) | 0.035 (4) | 0.033 (4) | 0.012 (3) | −0.003 (3) | 0.002 (3) |
C26' | 0.033 (4) | 0.038 (4) | 0.037 (4) | 0.016 (4) | 0.005 (3) | 0.011 (3) |
C27' | 0.039 (4) | 0.027 (4) | 0.048 (5) | 0.009 (3) | −0.004 (4) | 0.011 (4) |
C28' | 0.029 (4) | 0.019 (4) | 0.035 (4) | 0.000 (3) | 0.002 (3) | 0.006 (4) |
C29' | 0.029 (4) | 0.034 (5) | 0.015 (4) | 0.017 (4) | 0.003 (3) | 0.008 (3) |
C30' | 0.042 (5) | 0.048 (5) | 0.028 (4) | 0.013 (4) | 0.008 (4) | 0.011 (4) |
C31' | 0.048 (5) | 0.061 (6) | 0.036 (5) | 0.026 (5) | 0.021 (4) | 0.016 (4) |
C32' | 0.063 (6) | 0.056 (6) | 0.037 (5) | 0.038 (5) | 0.016 (5) | 0.008 (4) |
C33' | 0.059 (6) | 0.053 (7) | 0.055 (7) | 0.025 (6) | 0.016 (5) | −0.018 (5) |
C34' | 0.043 (6) | 0.039 (6) | 0.056 (7) | 0.017 (5) | 0.007 (5) | −0.011 (5) |
C35 | 0.078 (4) | 0.051 (3) | 0.051 (3) | −0.032 (3) | 0.038 (3) | −0.024 (2) |
C36 | 0.038 (2) | 0.051 (3) | 0.028 (2) | −0.015 (2) | 0.0110 (18) | −0.0055 (19) |
C37 | 0.023 (3) | 0.035 (4) | 0.026 (4) | 0.004 (3) | 0.004 (3) | 0.011 (3) |
C38 | 0.065 (6) | 0.038 (5) | 0.036 (5) | 0.004 (5) | 0.002 (5) | 0.006 (4) |
C39 | 0.074 (7) | 0.050 (6) | 0.055 (6) | 0.011 (5) | 0.013 (5) | 0.021 (5) |
C40 | 0.053 (5) | 0.063 (6) | 0.038 (5) | 0.015 (4) | 0.012 (4) | 0.027 (4) |
C41 | 0.030 (4) | 0.062 (5) | 0.022 (4) | 0.007 (4) | 0.009 (3) | 0.007 (4) |
C42 | 0.026 (3) | 0.034 (4) | 0.025 (4) | 0.003 (3) | 0.000 (3) | 0.008 (3) |
C43 | 0.024 (4) | 0.042 (5) | 0.019 (4) | 0.005 (3) | 0.002 (3) | 0.008 (4) |
C44 | 0.030 (4) | 0.041 (4) | 0.032 (4) | 0.009 (3) | 0.006 (3) | 0.010 (3) |
C45 | 0.041 (4) | 0.047 (5) | 0.036 (4) | 0.012 (4) | −0.002 (4) | 0.006 (4) |
C46 | 0.028 (4) | 0.055 (5) | 0.043 (5) | 0.018 (4) | −0.005 (4) | −0.008 (4) |
C47 | 0.029 (4) | 0.058 (5) | 0.044 (5) | 0.012 (4) | 0.004 (4) | 0.000 (4) |
C48 | 0.024 (4) | 0.045 (5) | 0.032 (4) | 0.004 (3) | 0.004 (3) | 0.007 (3) |
C37' | 0.030 (4) | 0.020 (3) | 0.017 (3) | 0.010 (3) | 0.007 (3) | 0.000 (3) |
C38' | 0.028 (4) | 0.029 (4) | 0.025 (4) | 0.005 (3) | 0.008 (3) | 0.005 (3) |
C39' | 0.043 (5) | 0.032 (4) | 0.033 (4) | 0.007 (4) | 0.009 (4) | 0.007 (3) |
C40' | 0.057 (5) | 0.039 (5) | 0.027 (4) | 0.019 (4) | 0.008 (4) | 0.009 (3) |
C41' | 0.044 (4) | 0.039 (4) | 0.033 (4) | 0.017 (4) | −0.005 (4) | 0.005 (3) |
C42' | 0.033 (4) | 0.026 (4) | 0.024 (3) | 0.008 (3) | 0.002 (3) | 0.002 (3) |
C43' | 0.021 (3) | 0.023 (4) | 0.024 (4) | 0.005 (3) | 0.005 (3) | 0.000 (3) |
C44' | 0.050 (5) | 0.044 (5) | 0.032 (4) | 0.023 (4) | 0.013 (4) | 0.009 (4) |
C45' | 0.047 (5) | 0.043 (5) | 0.048 (5) | 0.027 (4) | 0.013 (4) | 0.005 (4) |
C46' | 0.036 (4) | 0.038 (4) | 0.039 (4) | 0.014 (3) | 0.010 (3) | −0.004 (4) |
C47' | 0.068 (6) | 0.052 (5) | 0.033 (4) | 0.031 (5) | 0.014 (4) | 0.000 (4) |
C48' | 0.053 (5) | 0.041 (4) | 0.031 (4) | 0.025 (4) | 0.010 (4) | 0.005 (3) |
C49 | 0.038 (6) | 0.028 (6) | 0.024 (5) | 0.009 (5) | 0.014 (4) | 0.002 (4) |
C50 | 0.046 (6) | 0.047 (6) | 0.037 (5) | 0.020 (5) | 0.006 (4) | 0.001 (4) |
C51 | 0.075 (8) | 0.042 (7) | 0.045 (8) | 0.020 (6) | −0.001 (6) | −0.011 (5) |
C52 | 0.068 (7) | 0.054 (6) | 0.044 (6) | 0.024 (6) | 0.013 (5) | −0.014 (5) |
C53 | 0.081 (7) | 0.049 (5) | 0.046 (5) | 0.013 (5) | 0.036 (5) | 0.003 (4) |
C54 | 0.070 (6) | 0.033 (4) | 0.034 (4) | 0.005 (4) | 0.025 (4) | 0.003 (4) |
C55 | 0.031 (6) | 0.010 (4) | 0.028 (5) | −0.010 (4) | 0.009 (4) | −0.004 (4) |
C56 | 0.042 (6) | 0.027 (6) | 0.035 (7) | 0.005 (5) | 0.014 (5) | −0.003 (5) |
C57 | 0.050 (6) | 0.034 (6) | 0.036 (6) | 0.011 (5) | 0.004 (5) | 0.000 (5) |
C58 | 0.039 (6) | 0.034 (5) | 0.049 (6) | 0.010 (4) | 0.018 (5) | 0.009 (4) |
C59 | 0.046 (7) | 0.050 (6) | 0.036 (5) | 0.017 (6) | 0.026 (5) | 0.022 (4) |
C60 | 0.035 (6) | 0.035 (5) | 0.030 (5) | 0.006 (4) | 0.015 (4) | 0.004 (4) |
C49' | 0.055 (8) | 0.039 (8) | 0.042 (7) | 0.017 (6) | 0.015 (6) | −0.001 (6) |
C50' | 0.062 (7) | 0.033 (5) | 0.049 (7) | 0.010 (5) | 0.000 (5) | 0.001 (5) |
C51' | 0.085 (10) | 0.069 (10) | 0.064 (11) | 0.017 (8) | −0.003 (8) | −0.011 (7) |
C52' | 0.073 (7) | 0.078 (8) | 0.057 (7) | 0.046 (6) | 0.009 (6) | −0.018 (6) |
C53' | 0.046 (5) | 0.096 (7) | 0.028 (4) | 0.025 (5) | 0.011 (4) | 0.008 (5) |
C54' | 0.030 (4) | 0.061 (5) | 0.027 (4) | 0.012 (4) | 0.009 (3) | 0.008 (4) |
C55' | 0.027 (6) | 0.014 (5) | 0.026 (4) | −0.013 (4) | 0.006 (4) | −0.005 (4) |
C56' | 0.049 (7) | 0.037 (7) | 0.036 (7) | 0.004 (5) | 0.016 (5) | 0.003 (6) |
C57' | 0.051 (7) | 0.047 (7) | 0.054 (8) | 0.013 (5) | 0.020 (6) | 0.004 (6) |
C58' | 0.045 (7) | 0.047 (6) | 0.039 (5) | 0.008 (5) | 0.020 (5) | 0.016 (5) |
C59' | 0.031 (5) | 0.038 (5) | 0.037 (5) | 0.001 (4) | 0.007 (4) | 0.010 (4) |
C60' | 0.026 (5) | 0.018 (4) | 0.032 (5) | −0.006 (4) | 0.003 (4) | 0.004 (3) |
C61 | 0.059 (3) | 0.023 (2) | 0.078 (4) | 0.000 (2) | 0.049 (3) | −0.001 (2) |
C62 | 0.027 (2) | 0.030 (2) | 0.088 (4) | −0.0007 (18) | 0.020 (2) | −0.017 (2) |
C63 | 0.036 (5) | 0.025 (5) | 0.019 (4) | 0.012 (3) | 0.002 (4) | 0.002 (4) |
C64 | 0.028 (4) | 0.037 (5) | 0.034 (5) | 0.015 (4) | 0.002 (3) | 0.003 (4) |
C65 | 0.040 (5) | 0.058 (6) | 0.038 (5) | 0.026 (5) | 0.010 (4) | 0.009 (5) |
C66 | 0.055 (7) | 0.047 (6) | 0.036 (5) | 0.029 (5) | 0.013 (5) | 0.009 (5) |
C67 | 0.090 (8) | 0.038 (5) | 0.046 (6) | 0.027 (5) | 0.021 (6) | 0.004 (4) |
C68 | 0.064 (6) | 0.039 (5) | 0.042 (5) | 0.009 (5) | 0.025 (5) | 0.008 (4) |
C69 | 0.018 (4) | 0.028 (5) | 0.026 (4) | 0.006 (3) | 0.002 (3) | −0.001 (3) |
C70 | 0.027 (3) | 0.032 (4) | 0.021 (3) | 0.013 (3) | 0.004 (3) | 0.000 (3) |
C71 | 0.032 (4) | 0.044 (4) | 0.019 (3) | 0.014 (3) | 0.006 (3) | 0.001 (3) |
C72 | 0.041 (4) | 0.039 (5) | 0.020 (4) | 0.008 (4) | 0.002 (3) | 0.006 (3) |
C73 | 0.046 (5) | 0.033 (4) | 0.034 (4) | 0.025 (4) | 0.007 (4) | 0.009 (3) |
C74 | 0.035 (4) | 0.027 (4) | 0.025 (4) | 0.017 (3) | 0.006 (3) | 0.000 (3) |
C63' | 0.026 (4) | 0.028 (5) | 0.020 (5) | 0.013 (3) | 0.004 (3) | 0.007 (4) |
C64' | 0.030 (5) | 0.030 (5) | 0.031 (4) | 0.013 (4) | 0.006 (3) | −0.002 (4) |
C65' | 0.026 (4) | 0.045 (6) | 0.042 (5) | 0.017 (4) | 0.010 (4) | 0.001 (5) |
C66' | 0.034 (5) | 0.037 (5) | 0.028 (4) | 0.014 (4) | 0.008 (4) | −0.002 (4) |
C67' | 0.043 (5) | 0.042 (5) | 0.035 (5) | 0.015 (4) | 0.000 (4) | −0.008 (4) |
C68' | 0.033 (4) | 0.033 (4) | 0.026 (4) | 0.014 (3) | −0.001 (3) | −0.002 (3) |
C69' | 0.024 (4) | 0.034 (5) | 0.017 (4) | 0.005 (3) | −0.001 (3) | 0.001 (3) |
C70' | 0.032 (4) | 0.056 (5) | 0.039 (4) | 0.014 (4) | 0.008 (3) | 0.022 (4) |
C71' | 0.047 (5) | 0.068 (6) | 0.036 (5) | 0.011 (4) | 0.014 (4) | 0.025 (4) |
C72' | 0.049 (5) | 0.043 (5) | 0.035 (5) | 0.014 (4) | −0.003 (4) | 0.016 (4) |
C73' | 0.042 (5) | 0.038 (5) | 0.037 (4) | 0.022 (4) | −0.005 (4) | 0.002 (4) |
C74' | 0.027 (4) | 0.033 (4) | 0.028 (4) | 0.016 (3) | 0.004 (3) | 0.003 (3) |
Sn1—C13 | 2.144 (10) | C24'—H24' | 0.95 |
Sn1—C1 | 2.161 (4) | C25'—C26' | 1.39 |
Sn1—O3 | 2.176 (9) | C25'—H25' | 0.95 |
Sn1—C7 | 2.186 (8) | C26'—C27' | 1.39 |
Sn1—O1 | 2.270 (6) | C26'—H26' | 0.95 |
Cl1—C20 | 1.718 (8) | C27'—C28' | 1.39 |
Cl2—C22 | 1.650 (9) | C27'—H27' | 0.95 |
F1—C20 | 1.359 (8) | C28'—H28' | 0.95 |
F2—C20 | 1.348 (9) | C29'—C30' | 1.39 |
F3—C22 | 1.326 (9) | C29'—C34' | 1.39 |
F4—C22 | 1.352 (9) | C30'—C31' | 1.39 |
O1—C19 | 1.257 (7) | C30'—H30' | 0.95 |
O2—C19 | 1.243 (8) | C31'—C32' | 1.39 |
O3—C21 | 1.235 (9) | C31'—H31' | 0.95 |
O4—C21 | 1.233 (9) | C32'—C33' | 1.39 |
C1—C2 | 1.39 | C32'—H32' | 0.95 |
C1—C6 | 1.39 | C33'—C34' | 1.39 |
C2—C3 | 1.39 | C33'—H33' | 0.95 |
C2—H2 | 0.95 | C34'—H34' | 0.95 |
C3—C4 | 1.39 | C35—C36 | 1.534 (7) |
C3—H3 | 0.95 | C35—H35A | 0.99 |
C4—C5 | 1.39 | C35—H35B | 0.99 |
C4—H4 | 0.95 | C36—H36A | 0.99 |
C5—C6 | 1.39 | C36—H36B | 0.99 |
C5—H5 | 0.95 | C37—C38 | 1.39 |
C6—H6 | 0.95 | C37—C42 | 1.39 |
C7—C8 | 1.39 | C38—C39 | 1.39 |
C7—C12 | 1.39 | C38—H38 | 0.95 |
C8—C9 | 1.39 | C39—C40 | 1.39 |
C8—H8 | 0.95 | C39—H39 | 0.95 |
C9—C10 | 1.39 | C40—C41 | 1.39 |
C9—H9 | 0.95 | C40—H40 | 0.95 |
C10—C11 | 1.39 | C41—C42 | 1.39 |
C10—H10 | 0.95 | C41—H41 | 0.95 |
C11—C12 | 1.39 | C42—H42 | 0.95 |
C11—H11 | 0.95 | C43—C44 | 1.39 |
C12—H12 | 0.95 | C43—C48 | 1.39 |
C13—C18 | 1.519 (10) | C44—C45 | 1.39 |
C13—C14 | 1.530 (9) | C44—H44 | 0.95 |
C13—H13 | 1.00 | C45—C46 | 1.39 |
C14—C15 | 1.526 (9) | C45—H45 | 0.95 |
C14—H14A | 0.99 | C46—C47 | 1.39 |
C14—H14B | 0.99 | C46—H46 | 0.95 |
C15—C16 | 1.524 (9) | C47—C48 | 1.39 |
C15—H15A | 0.99 | C47—H47 | 0.95 |
C15—H15B | 0.99 | C48—H48 | 0.95 |
C16—C17 | 1.517 (9) | C37'—C38' | 1.39 |
C16—H16A | 0.99 | C37'—C42' | 1.39 |
C16—H16B | 0.99 | C38'—C39' | 1.39 |
C17—C18 | 1.528 (9) | C38'—H38' | 0.95 |
C17—H17A | 0.99 | C39'—C40' | 1.39 |
C17—H17B | 0.99 | C39'—H39' | 0.95 |
C18—H18A | 0.99 | C40'—C41' | 1.39 |
C18—H18B | 0.99 | C40'—H40' | 0.95 |
C19—C20 | 1.525 (8) | C41'—C42' | 1.39 |
C21—C22 | 1.501 (9) | C41'—H41' | 0.95 |
Sn1'—C7' | 2.109 (9) | C42'—H42' | 0.95 |
Sn1'—C13' | 2.159 (11) | C43'—C44' | 1.39 |
Sn1'—C1' | 2.155 (5) | C43'—C48' | 1.39 |
Sn1'—O1' | 2.243 (9) | C44'—C45' | 1.39 |
Sn1'—O3' | 2.298 (10) | C44'—H44' | 0.95 |
Cl1'—C20' | 1.690 (9) | C45'—C46' | 1.39 |
Cl2'—C22' | 1.705 (10) | C45'—H45' | 0.95 |
F1'—C20' | 1.324 (9) | C46'—C47' | 1.39 |
F2'—C20' | 1.357 (9) | C46'—H46' | 0.95 |
F3'—C22' | 1.375 (12) | C47'—C48' | 1.39 |
F4'—C22' | 1.355 (12) | C47'—H47' | 0.95 |
O1'—C19' | 1.214 (8) | C48'—H48' | 0.95 |
O2'—C19' | 1.251 (8) | C49—C50 | 1.39 |
O3'—C21' | 1.249 (8) | C49—C54 | 1.39 |
O4'—C21' | 1.244 (8) | C50—C51 | 1.39 |
C1'—C2' | 1.39 | C50—H50 | 0.95 |
C1'—C6' | 1.39 | C51—C52 | 1.39 |
C2'—C3' | 1.39 | C51—H51 | 0.95 |
C2'—H2' | 0.95 | C52—C53 | 1.39 |
C3'—C4' | 1.39 | C52—H52 | 0.95 |
C3'—H3' | 0.95 | C53—C54 | 1.39 |
C4'—C5' | 1.39 | C53—H53 | 0.95 |
C4'—H4' | 0.95 | C54—H54 | 0.95 |
C5'—C6' | 1.39 | C55—C56 | 1.39 |
C5'—H5' | 0.95 | C55—C60 | 1.39 |
C6'—H6' | 0.95 | C56—C57 | 1.39 |
C7'—C8' | 1.39 | C56—H56 | 0.95 |
C7'—C12' | 1.39 | C57—C58 | 1.39 |
C8'—C9' | 1.39 | C57—H57 | 0.95 |
C8'—H8' | 0.95 | C58—C59 | 1.39 |
C9'—C10' | 1.39 | C58—H58 | 0.95 |
C9'—H9' | 0.95 | C59—C60 | 1.39 |
C10'—C11' | 1.39 | C59—H59 | 0.95 |
C10'—H10' | 0.95 | C60—H60 | 0.95 |
C11'—C12' | 1.39 | C49'—C50' | 1.39 |
C11'—H11' | 0.95 | C49'—C54' | 1.39 |
C12'—H12' | 0.95 | C50'—C51' | 1.39 |
C13'—C18' | 1.509 (9) | C50'—H50' | 0.95 |
C13'—C14' | 1.529 (9) | C51'—C52' | 1.39 |
C13'—H13' | 1.00 | C51'—H51' | 0.95 |
C14'—C15' | 1.537 (9) | C52'—C53' | 1.39 |
C14'—H14C | 0.99 | C52'—H52' | 0.95 |
C14'—H14D | 0.99 | C53'—C54' | 1.39 |
C15'—C16' | 1.555 (9) | C53'—H53' | 0.95 |
C15'—H15C | 0.99 | C54'—H54' | 0.95 |
C15'—H15D | 0.99 | C55'—C56' | 1.39 |
C16'—C17' | 1.542 (9) | C55'—C60' | 1.39 |
C16'—H16C | 0.99 | C56'—C57' | 1.39 |
C16'—H16D | 0.99 | C56'—H56' | 0.95 |
C17'—C18' | 1.530 (9) | C57'—C58' | 1.39 |
C17'—H17C | 0.99 | C57'—H57' | 0.95 |
C17'—H17D | 0.99 | C58'—C59' | 1.39 |
C18'—H18C | 0.99 | C58'—H58' | 0.95 |
C18'—H18D | 0.99 | C59'—C60' | 1.39 |
C19'—C20' | 1.491 (9) | C59'—H59' | 0.95 |
C21'—C22' | 1.542 (8) | C60'—H60' | 0.95 |
Ag1—P3 | 2.4682 (10) | C61—C62 | 1.517 (9) |
Ag1—P2 | 2.4721 (10) | C61—H61A | 0.99 |
Ag1—P1 | 2.4803 (11) | C61—H61B | 0.99 |
Ag1—P4 | 2.4910 (11) | C62—H62A | 0.99 |
P1—C23' | 1.664 (4) | C62—H62B | 0.99 |
P1—C29 | 1.785 (5) | C63—C64 | 1.39 |
P1—C35 | 1.844 (5) | C63—C68 | 1.39 |
P1—C29' | 1.882 (6) | C64—C65 | 1.39 |
P1—C23 | 2.021 (4) | C64—H64 | 0.95 |
P2—C37 | 1.795 (4) | C65—C66 | 1.39 |
P2—C43' | 1.795 (4) | C65—H65 | 0.95 |
P2—C36 | 1.828 (4) | C66—C67 | 1.39 |
P2—C37' | 1.890 (4) | C66—H66 | 0.95 |
P2—C43 | 1.898 (4) | C67—C68 | 1.39 |
P3—C55' | 1.759 (9) | C67—H67 | 0.95 |
P3—C49 | 1.789 (6) | C68—H68 | 0.95 |
P3—C61 | 1.852 (5) | C69—C70 | 1.39 |
P3—C49' | 1.879 (7) | C69—C74 | 1.39 |
P3—C55 | 1.901 (7) | C70—C71 | 1.39 |
P4—C69 | 1.727 (4) | C70—H70 | 0.95 |
P4—C63' | 1.801 (5) | C71—C72 | 1.39 |
P4—C62 | 1.849 (5) | C71—H71 | 0.95 |
P4—C63 | 1.867 (5) | C72—C73 | 1.39 |
P4—C69' | 1.946 (4) | C72—H72 | 0.95 |
C23—C24 | 1.39 | C73—C74 | 1.39 |
C23—C28 | 1.39 | C73—H73 | 0.95 |
C24—C25 | 1.39 | C74—H74 | 0.95 |
C24—H24 | 0.95 | C63'—C64' | 1.39 |
C25—C26 | 1.39 | C63'—C68' | 1.39 |
C25—H25 | 0.95 | C64'—C65' | 1.39 |
C26—C27 | 1.39 | C64'—H64' | 0.95 |
C26—H26 | 0.95 | C65'—C66' | 1.39 |
C27—C28 | 1.39 | C65'—H65' | 0.95 |
C27—H27 | 0.95 | C66'—C67' | 1.39 |
C28—H28 | 0.95 | C66'—H66' | 0.95 |
C29—C30 | 1.39 | C67'—C68' | 1.39 |
C29—C34 | 1.39 | C67'—H67' | 0.95 |
C30—C31 | 1.39 | C68'—H68' | 0.95 |
C30—H30 | 0.95 | C69'—C70' | 1.39 |
C31—C32 | 1.39 | C69'—C74' | 1.39 |
C31—H31 | 0.95 | C70'—C71' | 1.39 |
C32—C33 | 1.39 | C70'—H70' | 0.95 |
C32—H32 | 0.95 | C71'—C72' | 1.39 |
C33—C34 | 1.39 | C71'—H71' | 0.95 |
C33—H33 | 0.95 | C72'—C73' | 1.39 |
C34—H34 | 0.95 | C72'—H72' | 0.95 |
C23'—C24' | 1.39 | C73'—C74' | 1.39 |
C23'—C28' | 1.39 | C73'—H73' | 0.95 |
C24'—C25' | 1.39 | C74'—H74' | 0.95 |
C13—Sn1—C1 | 119.1 (5) | C31—C32—H32 | 120.0 |
C13—Sn1—O3 | 100.3 (7) | C32—C33—C34 | 120.0 |
C1—Sn1—O3 | 80.9 (4) | C32—C33—H33 | 120.0 |
C13—Sn1—C7 | 112.9 (7) | C34—C33—H33 | 120.0 |
C1—Sn1—C7 | 128.0 (6) | C33—C34—C29 | 120.0 |
O3—Sn1—C7 | 88.5 (7) | C33—C34—H34 | 120.0 |
C13—Sn1—O1 | 87.5 (6) | C29—C34—H34 | 120.0 |
C1—Sn1—O1 | 94.8 (2) | C24'—C23'—C28' | 120.0 |
O3—Sn1—O1 | 172.1 (5) | C24'—C23'—P1 | 123.7 (3) |
C7—Sn1—O1 | 89.1 (5) | C28'—C23'—P1 | 116.2 (3) |
C19—O1—Sn1 | 138.0 (5) | C25'—C24'—C23' | 120.0 |
C21—O3—Sn1 | 121.9 (9) | C25'—C24'—H24' | 120.0 |
C2—C1—C6 | 120.0 | C23'—C24'—H24' | 120.0 |
C2—C1—Sn1 | 116.9 (3) | C24'—C25'—C26' | 120.0 |
C6—C1—Sn1 | 123.1 (3) | C24'—C25'—H25' | 120.0 |
C3—C2—C1 | 120.0 | C26'—C25'—H25' | 120.0 |
C3—C2—H2 | 120.0 | C25'—C26'—C27' | 120.0 |
C1—C2—H2 | 120.0 | C25'—C26'—H26' | 120.0 |
C4—C3—C2 | 120.0 | C27'—C26'—H26' | 120.0 |
C4—C3—H3 | 120.0 | C28'—C27'—C26' | 120.0 |
C2—C3—H3 | 120.0 | C28'—C27'—H27' | 120.0 |
C3—C4—C5 | 120.0 | C26'—C27'—H27' | 120.0 |
C3—C4—H4 | 120.0 | C27'—C28'—C23' | 120.0 |
C5—C4—H4 | 120.0 | C27'—C28'—H28' | 120.0 |
C4—C5—C6 | 120.0 | C23'—C28'—H28' | 120.0 |
C4—C5—H5 | 120.0 | C30'—C29'—C34' | 120.0 |
C6—C5—H5 | 120.0 | C30'—C29'—P1 | 117.9 (5) |
C5—C6—C1 | 120.0 | C34'—C29'—P1 | 121.7 (5) |
C5—C6—H6 | 120.0 | C29'—C30'—C31' | 120.0 |
C1—C6—H6 | 120.0 | C29'—C30'—H30' | 120.0 |
C8—C7—C12 | 120.0 | C31'—C30'—H30' | 120.0 |
C8—C7—Sn1 | 121.3 (7) | C32'—C31'—C30' | 120.0 |
C12—C7—Sn1 | 118.6 (7) | C32'—C31'—H31' | 120.0 |
C7—C8—C9 | 120.0 | C30'—C31'—H31' | 120.0 |
C7—C8—H8 | 120.0 | C33'—C32'—C31' | 120.0 |
C9—C8—H8 | 120.0 | C33'—C32'—H32' | 120.0 |
C8—C9—C10 | 120.0 | C31'—C32'—H32' | 120.0 |
C8—C9—H9 | 120.0 | C34'—C33'—C32' | 120.0 |
C10—C9—H9 | 120.0 | C34'—C33'—H33' | 120.0 |
C9—C10—C11 | 120.0 | C32'—C33'—H33' | 120.0 |
C9—C10—H10 | 120.0 | C33'—C34'—C29' | 120.0 |
C11—C10—H10 | 120.0 | C33'—C34'—H34' | 120.0 |
C12—C11—C10 | 120.0 | C29'—C34'—H34' | 120.0 |
C12—C11—H11 | 120.0 | C36—C35—P1 | 110.5 (4) |
C10—C11—H11 | 120.0 | C36—C35—H35A | 109.6 |
C11—C12—C7 | 120.0 | P1—C35—H35A | 109.6 |
C11—C12—H12 | 120.0 | C36—C35—H35B | 109.6 |
C7—C12—H12 | 120.0 | P1—C35—H35B | 109.6 |
C18—C13—C14 | 111.1 (11) | H35A—C35—H35B | 108.1 |
C18—C13—Sn1 | 107.3 (10) | C35—C36—P2 | 113.1 (4) |
C14—C13—Sn1 | 112.3 (10) | C35—C36—H36A | 109.0 |
C18—C13—H13 | 108.7 | P2—C36—H36A | 109.0 |
C14—C13—H13 | 108.7 | C35—C36—H36B | 109.0 |
Sn1—C13—H13 | 108.7 | P2—C36—H36B | 109.0 |
C15—C14—C13 | 111.9 (9) | H36A—C36—H36B | 107.8 |
C15—C14—H14A | 109.2 | C38—C37—C42 | 120.0 |
C13—C14—H14A | 109.2 | C38—C37—P2 | 119.2 (3) |
C15—C14—H14B | 109.2 | C42—C37—P2 | 120.7 (3) |
C13—C14—H14B | 109.2 | C37—C38—C39 | 120.0 |
H14A—C14—H14B | 107.9 | C37—C38—H38 | 120.0 |
C14—C15—C16 | 114.0 (10) | C39—C38—H38 | 120.0 |
C14—C15—H15A | 108.7 | C40—C39—C38 | 120.0 |
C16—C15—H15A | 108.7 | C40—C39—H39 | 120.0 |
C14—C15—H15B | 108.7 | C38—C39—H39 | 120.0 |
C16—C15—H15B | 108.7 | C41—C40—C39 | 120.0 |
H15A—C15—H15B | 107.6 | C41—C40—H40 | 120.0 |
C17—C16—C15 | 116.9 (10) | C39—C40—H40 | 120.0 |
C17—C16—H16A | 108.1 | C40—C41—C42 | 120.0 |
C15—C16—H16A | 108.1 | C40—C41—H41 | 120.0 |
C17—C16—H16B | 108.1 | C42—C41—H41 | 120.0 |
C15—C16—H16B | 108.1 | C41—C42—C37 | 120.0 |
H16A—C16—H16B | 107.3 | C41—C42—H42 | 120.0 |
C16—C17—C18 | 111.5 (10) | C37—C42—H42 | 120.0 |
C16—C17—H17A | 109.3 | C44—C43—C48 | 120.0 |
C18—C17—H17A | 109.3 | C44—C43—P2 | 120.4 (3) |
C16—C17—H17B | 109.3 | C48—C43—P2 | 119.5 (3) |
C18—C17—H17B | 109.3 | C43—C44—C45 | 120.0 |
H17A—C17—H17B | 108.0 | C43—C44—H44 | 120.0 |
C13—C18—C17 | 109.1 (9) | C45—C44—H44 | 120.0 |
C13—C18—H18A | 109.9 | C46—C45—C44 | 120.0 |
C17—C18—H18A | 109.9 | C46—C45—H45 | 120.0 |
C13—C18—H18B | 109.9 | C44—C45—H45 | 120.0 |
C17—C18—H18B | 109.9 | C47—C46—C45 | 120.0 |
H18A—C18—H18B | 108.3 | C47—C46—H46 | 120.0 |
O2—C19—O1 | 129.3 (8) | C45—C46—H46 | 120.0 |
O2—C19—C20 | 117.3 (7) | C46—C47—C48 | 120.0 |
O1—C19—C20 | 113.5 (7) | C46—C47—H47 | 120.0 |
F2—C20—F1 | 99.1 (9) | C48—C47—H47 | 120.0 |
F2—C20—C19 | 112.5 (7) | C47—C48—C43 | 120.0 |
F1—C20—C19 | 113.6 (7) | C47—C48—H48 | 120.0 |
F2—C20—Cl1 | 109.1 (7) | C43—C48—H48 | 120.0 |
F1—C20—Cl1 | 115.4 (7) | C38'—C37'—C42' | 120.0 |
C19—C20—Cl1 | 107.1 (5) | C38'—C37'—P2 | 123.2 (3) |
O4—C21—O3 | 130.3 (13) | C42'—C37'—P2 | 116.7 (3) |
O4—C21—C22 | 122.4 (11) | C39'—C38'—C37' | 120.0 |
O3—C21—C22 | 107.3 (9) | C39'—C38'—H38' | 120.0 |
F3—C22—F4 | 107.3 (10) | C37'—C38'—H38' | 120.0 |
F3—C22—C21 | 115.0 (9) | C38'—C39'—C40' | 120.0 |
F4—C22—C21 | 112.9 (10) | C38'—C39'—H39' | 120.0 |
F3—C22—Cl2 | 111.5 (9) | C40'—C39'—H39' | 120.0 |
F4—C22—Cl2 | 101.9 (8) | C39'—C40'—C41' | 120.0 |
C21—C22—Cl2 | 107.5 (7) | C39'—C40'—H40' | 120.0 |
C7'—Sn1'—C13' | 127.1 (8) | C41'—C40'—H40' | 120.0 |
C7'—Sn1'—C1' | 115.3 (7) | C42'—C41'—C40' | 120.0 |
C13'—Sn1'—C1' | 117.5 (5) | C42'—C41'—H41' | 120.0 |
C7'—Sn1'—O1' | 86.1 (6) | C40'—C41'—H41' | 120.0 |
C13'—Sn1'—O1' | 88.3 (7) | C41'—C42'—C37' | 120.0 |
C1'—Sn1'—O1' | 93.1 (4) | C41'—C42'—H42' | 120.0 |
C7'—Sn1'—O3' | 91.6 (7) | C37'—C42'—H42' | 120.0 |
C13'—Sn1'—O3' | 89.4 (7) | C44'—C43'—C48' | 120.0 |
C1'—Sn1'—O3' | 92.0 (4) | C44'—C43'—P2 | 116.7 (3) |
O1'—Sn1'—O3' | 174.9 (4) | C48'—C43'—P2 | 122.6 (3) |
C19'—O1'—Sn1' | 154.9 (10) | C45'—C44'—C43' | 120.0 |
C21'—O3'—Sn1' | 126.1 (8) | C45'—C44'—H44' | 120.0 |
C2'—C1'—C6' | 120.0 | C43'—C44'—H44' | 120.0 |
C2'—C1'—Sn1' | 120.8 (3) | C44'—C45'—C46' | 120.0 |
C6'—C1'—Sn1' | 119.1 (3) | C44'—C45'—H45' | 120.0 |
C3'—C2'—C1' | 120.0 | C46'—C45'—H45' | 120.0 |
C3'—C2'—H2' | 120.0 | C45'—C46'—C47' | 120.0 |
C1'—C2'—H2' | 120.0 | C45'—C46'—H46' | 120.0 |
C2'—C3'—C4' | 120.0 | C47'—C46'—H46' | 120.0 |
C2'—C3'—H3' | 120.0 | C48'—C47'—C46' | 120.0 |
C4'—C3'—H3' | 120.0 | C48'—C47'—H47' | 120.0 |
C3'—C4'—C5' | 120.0 | C46'—C47'—H47' | 120.0 |
C3'—C4'—H4' | 120.0 | C47'—C48'—C43' | 120.0 |
C5'—C4'—H4' | 120.0 | C47'—C48'—H48' | 120.0 |
C6'—C5'—C4' | 120.0 | C43'—C48'—H48' | 120.0 |
C6'—C5'—H5' | 120.0 | C50—C49—C54 | 120.0 |
C4'—C5'—H5' | 120.0 | C50—C49—P3 | 122.1 (5) |
C5'—C6'—C1' | 120.0 | C54—C49—P3 | 117.9 (5) |
C5'—C6'—H6' | 120.0 | C51—C50—C49 | 120.0 |
C1'—C6'—H6' | 120.0 | C51—C50—H50 | 120.0 |
C8'—C7'—C12' | 120.0 | C49—C50—H50 | 120.0 |
C8'—C7'—Sn1' | 119.5 (8) | C50—C51—C52 | 120.0 |
C12'—C7'—Sn1' | 120.5 (8) | C50—C51—H51 | 120.0 |
C9'—C8'—C7' | 120.0 | C52—C51—H51 | 120.0 |
C9'—C8'—H8' | 120.0 | C53—C52—C51 | 120.0 |
C7'—C8'—H8' | 120.0 | C53—C52—H52 | 120.0 |
C10'—C9'—C8' | 120.0 | C51—C52—H52 | 120.0 |
C10'—C9'—H9' | 120.0 | C52—C53—C54 | 120.0 |
C8'—C9'—H9' | 120.0 | C52—C53—H53 | 120.0 |
C9'—C10'—C11' | 120.0 | C54—C53—H53 | 120.0 |
C9'—C10'—H10' | 120.0 | C53—C54—C49 | 120.0 |
C11'—C10'—H10' | 120.0 | C53—C54—H54 | 120.0 |
C12'—C11'—C10' | 120.0 | C49—C54—H54 | 120.0 |
C12'—C11'—H11' | 120.0 | C56—C55—C60 | 120.0 |
C10'—C11'—H11' | 120.0 | C56—C55—P3 | 117.5 (6) |
C11'—C12'—C7' | 120.0 | C60—C55—P3 | 122.5 (6) |
C11'—C12'—H12' | 120.0 | C55—C56—C57 | 120.0 |
C7'—C12'—H12' | 120.0 | C55—C56—H56 | 120.0 |
C18'—C13'—C14' | 112.5 (10) | C57—C56—H56 | 120.0 |
C18'—C13'—Sn1' | 117.4 (11) | C58—C57—C56 | 120.0 |
C14'—C13'—Sn1' | 106.6 (10) | C58—C57—H57 | 120.0 |
C18'—C13'—H13' | 106.5 | C56—C57—H57 | 120.0 |
C14'—C13'—H13' | 106.5 | C57—C58—C59 | 120.0 |
Sn1'—C13'—H13' | 106.5 | C57—C58—H58 | 120.0 |
C13'—C14'—C15' | 111.3 (9) | C59—C58—H58 | 120.0 |
C13'—C14'—H14C | 109.4 | C60—C59—C58 | 120.0 |
C15'—C14'—H14C | 109.4 | C60—C59—H59 | 120.0 |
C13'—C14'—H14D | 109.4 | C58—C59—H59 | 120.0 |
C15'—C14'—H14D | 109.4 | C59—C60—C55 | 120.0 |
H14C—C14'—H14D | 108.0 | C59—C60—H60 | 120.0 |
C14'—C15'—C16' | 108.7 (10) | C55—C60—H60 | 120.0 |
C14'—C15'—H15C | 109.9 | C50'—C49'—C54' | 120.0 |
C16'—C15'—H15C | 109.9 | C50'—C49'—P3 | 119.5 (5) |
C14'—C15'—H15D | 109.9 | C54'—C49'—P3 | 120.5 (5) |
C16'—C15'—H15D | 109.9 | C49'—C50'—C51' | 120.0 |
H15C—C15'—H15D | 108.3 | C49'—C50'—H50' | 120.0 |
C17'—C16'—C15' | 105.1 (9) | C51'—C50'—H50' | 120.0 |
C17'—C16'—H16C | 110.7 | C50'—C51'—C52' | 120.0 |
C15'—C16'—H16C | 110.7 | C50'—C51'—H51' | 120.0 |
C17'—C16'—H16D | 110.7 | C52'—C51'—H51' | 120.0 |
C15'—C16'—H16D | 110.7 | C51'—C52'—C53' | 120.0 |
H16C—C16'—H16D | 108.8 | C51'—C52'—H52' | 120.0 |
C18'—C17'—C16' | 108.3 (9) | C53'—C52'—H52' | 120.0 |
C18'—C17'—H17C | 110.0 | C54'—C53'—C52' | 120.0 |
C16'—C17'—H17C | 110.0 | C54'—C53'—H53' | 120.0 |
C18'—C17'—H17D | 110.0 | C52'—C53'—H53' | 120.0 |
C16'—C17'—H17D | 110.0 | C53'—C54'—C49' | 120.0 |
H17C—C17'—H17D | 108.4 | C53'—C54'—H54' | 120.0 |
C13'—C18'—C17' | 113.1 (9) | C49'—C54'—H54' | 120.0 |
C13'—C18'—H18C | 109.0 | C56'—C55'—C60' | 120.0 |
C17'—C18'—H18C | 109.0 | C56'—C55'—P3 | 121.1 (7) |
C13'—C18'—H18D | 109.0 | C60'—C55'—P3 | 117.0 (7) |
C17'—C18'—H18D | 109.0 | C57'—C56'—C55' | 120.0 |
H18C—C18'—H18D | 107.8 | C57'—C56'—H56' | 120.0 |
O1'—C19'—O2' | 121.1 (10) | C55'—C56'—H56' | 120.0 |
O1'—C19'—C20' | 122.2 (9) | C58'—C57'—C56' | 120.0 |
O2'—C19'—C20' | 116.7 (9) | C58'—C57'—H57' | 120.0 |
F1'—C20'—F2' | 103.4 (9) | C56'—C57'—H57' | 120.0 |
F1'—C20'—C19' | 118.2 (9) | C57'—C58'—C59' | 120.0 |
F2'—C20'—C19' | 109.0 (9) | C57'—C58'—H58' | 120.0 |
F1'—C20'—Cl1' | 106.6 (8) | C59'—C58'—H58' | 120.0 |
F2'—C20'—Cl1' | 111.9 (8) | C60'—C59'—C58' | 120.0 |
C19'—C20'—Cl1' | 107.7 (6) | C60'—C59'—H59' | 120.0 |
O4'—C21'—O3' | 124.9 (10) | C58'—C59'—H59' | 120.0 |
O4'—C21'—C22' | 114.5 (9) | C59'—C60'—C55' | 120.0 |
O3'—C21'—C22' | 120.6 (9) | C59'—C60'—H60' | 120.0 |
F3'—C22'—F4' | 99.6 (8) | C55'—C60'—H60' | 120.0 |
F3'—C22'—C21' | 112.0 (7) | C62—C61—P3 | 110.3 (3) |
F4'—C22'—C21' | 114.9 (8) | C62—C61—H61A | 109.6 |
F3'—C22'—Cl2' | 104.6 (6) | P3—C61—H61A | 109.6 |
F4'—C22'—Cl2' | 108.5 (6) | C62—C61—H61B | 109.6 |
C21'—C22'—Cl2' | 115.7 (7) | P3—C61—H61B | 109.6 |
P3—Ag1—P2 | 123.91 (4) | H61A—C61—H61B | 108.1 |
P3—Ag1—P1 | 120.82 (4) | C61—C62—P4 | 113.3 (4) |
P2—Ag1—P1 | 84.65 (3) | C61—C62—H62A | 108.9 |
P3—Ag1—P4 | 85.16 (4) | P4—C62—H62A | 108.9 |
P2—Ag1—P4 | 127.78 (4) | C61—C62—H62B | 108.9 |
P1—Ag1—P4 | 119.08 (4) | P4—C62—H62B | 108.9 |
C23'—P1—C35 | 96.5 (3) | H62A—C62—H62B | 107.7 |
C29—P1—C35 | 107.9 (3) | C64—C63—C68 | 120.0 |
C23'—P1—C29' | 108.0 (3) | C64—C63—P4 | 124.0 (4) |
C35—P1—C29' | 103.1 (3) | C68—C63—P4 | 116.0 (4) |
C29—P1—C23 | 98.2 (3) | C63—C64—C65 | 120.0 |
C35—P1—C23 | 109.7 (3) | C63—C64—H64 | 120.0 |
C23'—P1—Ag1 | 125.38 (19) | C65—C64—H64 | 120.0 |
C29—P1—Ag1 | 128.5 (3) | C66—C65—C64 | 120.0 |
C35—P1—Ag1 | 100.5 (2) | C66—C65—H65 | 120.0 |
C29'—P1—Ag1 | 117.7 (3) | C64—C65—H65 | 120.0 |
C23—P1—Ag1 | 111.49 (16) | C65—C66—C67 | 120.0 |
C37—P2—C36 | 115.2 (2) | C65—C66—H66 | 120.0 |
C43'—P2—C36 | 105.7 (3) | C67—C66—H66 | 120.0 |
C43'—P2—C37' | 104.8 (3) | C66—C67—C68 | 120.0 |
C37—P2—C43 | 102.9 (3) | C66—C67—H67 | 120.0 |
C36—P2—C43 | 95.2 (3) | C68—C67—H67 | 120.0 |
C37'—P2—C43 | 125.8 (2) | C67—C68—C63 | 120.0 |
C37—P2—Ag1 | 123.7 (2) | C67—C68—H68 | 120.0 |
C43'—P2—Ag1 | 125.2 (2) | C63—C68—H68 | 120.0 |
C36—P2—Ag1 | 104.28 (14) | C70—C69—C74 | 120.0 |
C37'—P2—Ag1 | 115.35 (16) | C70—C69—P4 | 121.9 (3) |
C43—P2—Ag1 | 111.87 (17) | C74—C69—P4 | 118.1 (3) |
C55'—P3—C49 | 99.2 (5) | C71—C70—C69 | 120.0 |
C55'—P3—C61 | 102.8 (4) | C71—C70—H70 | 120.0 |
C49—P3—C61 | 105.3 (4) | C69—C70—H70 | 120.0 |
C55'—P3—C49' | 105.3 (5) | C72—C71—C70 | 120.0 |
C61—P3—C49' | 102.1 (4) | C72—C71—C71i | 119.9 (6) |
C49—P3—C55 | 104.1 (5) | C70—C71—C71i | 98.5 (6) |
C61—P3—C55 | 110.1 (4) | C72—C71—H71 | 120.0 |
C49'—P3—C55 | 110.4 (5) | C70—C71—H71 | 120.0 |
C55'—P3—Ag1 | 125.9 (4) | C71i—C71—H71 | 49.7 |
C49—P3—Ag1 | 120.2 (3) | C71—C72—C73 | 120.0 |
C61—P3—Ag1 | 100.77 (15) | C71—C72—H72 | 120.0 |
C49'—P3—Ag1 | 116.2 (3) | C73—C72—H72 | 120.0 |
C55—P3—Ag1 | 115.7 (4) | C74—C73—C72 | 120.0 |
C69—P4—C63' | 109.2 (3) | C74—C73—H73 | 120.0 |
C69—P4—C62 | 98.3 (3) | C72—C73—H73 | 120.0 |
C63'—P4—C62 | 109.8 (3) | C73—C74—C69 | 120.0 |
C69—P4—C63 | 103.8 (3) | C73—C74—H74 | 120.0 |
C62—P4—C63 | 103.1 (3) | C69—C74—H74 | 120.0 |
C63'—P4—C69' | 99.9 (3) | C64'—C63'—C68' | 120.0 |
C62—P4—C69' | 108.6 (3) | C64'—C63'—P4 | 121.2 (4) |
C63—P4—C69' | 95.7 (3) | C68'—C63'—P4 | 118.4 (4) |
C69—P4—Ag1 | 119.8 (2) | C65'—C64'—C63' | 120.0 |
C63'—P4—Ag1 | 115.0 (2) | C65'—C64'—H64' | 120.0 |
C62—P4—Ag1 | 102.82 (17) | C63'—C64'—H64' | 120.0 |
C63—P4—Ag1 | 124.4 (3) | C64'—C65'—C66' | 120.0 |
C69'—P4—Ag1 | 120.63 (17) | C64'—C65'—H65' | 120.0 |
C24—C23—C28 | 120.0 | C66'—C65'—H65' | 120.0 |
C24—C23—P1 | 121.6 (3) | C65'—C66'—C67' | 120.0 |
C28—C23—P1 | 118.4 (3) | C65'—C66'—H66' | 120.0 |
C25—C24—C23 | 120.0 | C67'—C66'—H66' | 120.0 |
C25—C24—H24 | 120.0 | C66'—C67'—C68' | 120.0 |
C23—C24—H24 | 120.0 | C66'—C67'—H67' | 120.0 |
C24—C25—C26 | 120.0 | C68'—C67'—H67' | 120.0 |
C24—C25—H25 | 120.0 | C67'—C68'—C63' | 120.0 |
C26—C25—H25 | 120.0 | C67'—C68'—H68' | 120.0 |
C27—C26—C25 | 120.0 | C63'—C68'—H68' | 120.0 |
C27—C26—H26 | 120.0 | C70'—C69'—C74' | 120.0 |
C25—C26—H26 | 120.0 | C70'—C69'—P4 | 115.9 (3) |
C28—C27—C26 | 120.0 | C74'—C69'—P4 | 124.1 (3) |
C28—C27—H27 | 120.0 | C69'—C70'—C71' | 120.0 |
C26—C27—H27 | 120.0 | C69'—C70'—H70' | 120.0 |
C27—C28—C23 | 120.0 | C71'—C70'—H70' | 120.0 |
C27—C28—H28 | 120.0 | C72'—C71'—C70' | 120.0 |
C23—C28—H28 | 120.0 | C72'—C71'—H71' | 120.0 |
C30—C29—C34 | 120.0 | C70'—C71'—H71' | 120.0 |
C30—C29—P1 | 118.4 (4) | C71'—C72'—C73' | 120.0 |
C34—C29—P1 | 121.2 (4) | C71'—C72'—H72' | 120.0 |
C29—C30—C31 | 120.0 | C73'—C72'—H72' | 120.0 |
C29—C30—H30 | 120.0 | C74'—C73'—C72' | 120.0 |
C31—C30—H30 | 120.0 | C74'—C73'—H73' | 120.0 |
C30—C31—C32 | 120.0 | C72'—C73'—H73' | 120.0 |
C30—C31—H31 | 120.0 | C73'—C74'—C69' | 120.0 |
C32—C31—H31 | 120.0 | C73'—C74'—H74' | 120.0 |
C33—C32—C31 | 120.0 | C69'—C74'—H74' | 120.0 |
C33—C32—H32 | 120.0 | ||
C13—Sn1—O1—C19 | 171.4 (8) | C35—P1—C29'—C30' | 155.4 (5) |
C1—Sn1—O1—C19 | −69.6 (7) | C23—P1—C29'—C30' | −86.3 (5) |
C7—Sn1—O1—C19 | 58.4 (9) | Ag1—P1—C29'—C30' | 45.8 (5) |
C13—Sn1—O3—C21 | −45.1 (12) | C23'—P1—C29'—C34' | 70.0 (5) |
C1—Sn1—O3—C21 | −163.2 (12) | C29—P1—C29'—C34' | 79.2 (17) |
C7—Sn1—O3—C21 | 67.9 (12) | C35—P1—C29'—C34' | −31.4 (6) |
C13—Sn1—C1—C2 | −53.1 (7) | C23—P1—C29'—C34' | 87.0 (5) |
O3—Sn1—C1—C2 | 43.7 (6) | Ag1—P1—C29'—C34' | −140.9 (4) |
C7—Sn1—C1—C2 | 124.5 (7) | C34'—C29'—C30'—C31' | 0.0 |
O1—Sn1—C1—C2 | −142.9 (3) | P1—C29'—C30'—C31' | 173.4 (6) |
C13—Sn1—C1—C6 | 125.5 (7) | C29'—C30'—C31'—C32' | 0.0 |
O3—Sn1—C1—C6 | −137.7 (6) | C30'—C31'—C32'—C33' | 0.0 |
C7—Sn1—C1—C6 | −56.9 (7) | C31'—C32'—C33'—C34' | 0.0 |
O1—Sn1—C1—C6 | 35.7 (4) | C32'—C33'—C34'—C29' | 0.0 |
C6—C1—C2—C3 | 0.0 | C30'—C29'—C34'—C33' | 0.0 |
Sn1—C1—C2—C3 | 178.6 (4) | P1—C29'—C34'—C33' | −173.1 (6) |
C1—C2—C3—C4 | 0.0 | C23'—P1—C35—C36 | 76.3 (5) |
C2—C3—C4—C5 | 0.0 | C29—P1—C35—C36 | 171.9 (5) |
C3—C4—C5—C6 | 0.0 | C29'—P1—C35—C36 | −173.5 (5) |
C4—C5—C6—C1 | 0.0 | C23—P1—C35—C36 | 66.0 (5) |
C2—C1—C6—C5 | 0.0 | Ag1—P1—C35—C36 | −51.6 (5) |
Sn1—C1—C6—C5 | −178.5 (4) | P1—C35—C36—P2 | 57.9 (6) |
C13—Sn1—C7—C8 | 121.7 (10) | C37—P2—C36—C35 | 107.2 (5) |
C1—Sn1—C7—C8 | −56.0 (11) | C43'—P2—C36—C35 | −165.3 (5) |
O3—Sn1—C7—C8 | 21.1 (9) | C37'—P2—C36—C35 | 87.0 (5) |
O1—Sn1—C7—C8 | −151.4 (9) | C43—P2—C36—C35 | −145.8 (5) |
C13—Sn1—C7—C12 | −55.5 (14) | Ag1—P2—C36—C35 | −31.6 (5) |
C1—Sn1—C7—C12 | 126.8 (9) | C43'—P2—C37—C38 | −134.7 (4) |
O3—Sn1—C7—C12 | −156.0 (12) | C36—P2—C37—C38 | −31.4 (4) |
O1—Sn1—C7—C12 | 31.5 (11) | C37'—P2—C37—C38 | 19.6 (5) |
C12—C7—C8—C9 | 0.0 | C43—P2—C37—C38 | −133.6 (4) |
Sn1—C7—C8—C9 | −177.1 (15) | Ag1—P2—C37—C38 | 98.6 (3) |
C7—C8—C9—C10 | 0.0 | C43'—P2—C37—C42 | 48.9 (4) |
C8—C9—C10—C11 | 0.0 | C36—P2—C37—C42 | 152.2 (4) |
C9—C10—C11—C12 | 0.0 | C37'—P2—C37—C42 | −156.8 (7) |
C10—C11—C12—C7 | 0.0 | C43—P2—C37—C42 | 50.0 (4) |
C8—C7—C12—C11 | 0.0 | Ag1—P2—C37—C42 | −77.8 (4) |
Sn1—C7—C12—C11 | 177.2 (14) | C42—C37—C38—C39 | 0.0 |
C1—Sn1—C13—C18 | −28.8 (14) | P2—C37—C38—C39 | −176.4 (4) |
O3—Sn1—C13—C18 | −114.0 (12) | C37—C38—C39—C40 | 0.0 |
C7—Sn1—C13—C18 | 153.3 (11) | C38—C39—C40—C41 | 0.0 |
O1—Sn1—C13—C18 | 65.3 (11) | C39—C40—C41—C42 | 0.0 |
C1—Sn1—C13—C14 | −151.1 (9) | C40—C41—C42—C37 | 0.0 |
O3—Sn1—C13—C14 | 123.7 (12) | C38—C37—C42—C41 | 0.0 |
C7—Sn1—C13—C14 | 31.0 (14) | P2—C37—C42—C41 | 176.3 (5) |
O1—Sn1—C13—C14 | −57.0 (12) | C37—P2—C43—C44 | −145.5 (3) |
C18—C13—C14—C15 | 56.6 (18) | C43'—P2—C43—C44 | −142.7 (9) |
Sn1—C13—C14—C15 | 176.7 (12) | C36—P2—C43—C44 | 97.1 (3) |
C13—C14—C15—C16 | −43 (2) | C37'—P2—C43—C44 | −159.7 (3) |
C14—C15—C16—C17 | 39 (2) | Ag1—P2—C43—C44 | −10.6 (4) |
C15—C16—C17—C18 | −45 (2) | C37—P2—C43—C48 | 38.0 (4) |
C14—C13—C18—C17 | −63.0 (16) | C43'—P2—C43—C48 | 40.8 (7) |
Sn1—C13—C18—C17 | 174.0 (11) | C36—P2—C43—C48 | −79.4 (3) |
C16—C17—C18—C13 | 56.2 (17) | C37'—P2—C43—C48 | 23.8 (4) |
Sn1—O1—C19—O2 | 29.6 (7) | Ag1—P2—C43—C48 | 172.9 (3) |
Sn1—O1—C19—C20 | −150.9 (6) | C48—C43—C44—C45 | 0.0 |
O2—C19—C20—F2 | −177.3 (8) | P2—C43—C44—C45 | −176.5 (4) |
O1—C19—C20—F2 | 3.1 (8) | C43—C44—C45—C46 | 0.0 |
O2—C19—C20—F1 | 71.2 (9) | C44—C45—C46—C47 | 0.0 |
O1—C19—C20—F1 | −108.5 (9) | C45—C46—C47—C48 | 0.0 |
O2—C19—C20—Cl1 | −57.4 (6) | C46—C47—C48—C43 | 0.0 |
O1—C19—C20—Cl1 | 122.9 (6) | C44—C43—C48—C47 | 0.0 |
Sn1—O3—C21—O4 | −1.4 (12) | P2—C43—C48—C47 | 176.5 (4) |
Sn1—O3—C21—C22 | 178.7 (12) | C37—P2—C37'—C38' | −88.9 (6) |
O4—C21—C22—F3 | −86.9 (11) | C43'—P2—C37'—C38' | −62.6 (4) |
O3—C21—C22—F3 | 93.0 (11) | C36—P2—C37'—C38' | 45.9 (3) |
O4—C21—C22—F4 | 149.5 (10) | C43—P2—C37'—C38' | −56.2 (4) |
O3—C21—C22—F4 | −30.6 (10) | Ag1—P2—C37'—C38' | 155.7 (3) |
O4—C21—C22—Cl2 | 37.9 (10) | C37—P2—C37'—C42' | 86.8 (6) |
O3—C21—C22—Cl2 | −142.1 (9) | C43'—P2—C37'—C42' | 113.1 (3) |
C7'—Sn1'—O1'—C19' | 149.1 (19) | C36—P2—C37'—C42' | −138.4 (3) |
C13'—Sn1'—O1'—C19' | −83.5 (18) | C43—P2—C37'—C42' | 119.6 (3) |
C1'—Sn1'—O1'—C19' | 34.0 (17) | Ag1—P2—C37'—C42' | −28.6 (3) |
C7'—Sn1'—O3'—C21' | 64.3 (13) | C42'—C37'—C38'—C39' | 0.0 |
C13'—Sn1'—O3'—C21' | −62.8 (12) | P2—C37'—C38'—C39' | 175.6 (4) |
C1'—Sn1'—O3'—C21' | 179.7 (11) | C37'—C38'—C39'—C40' | 0.0 |
C7'—Sn1'—C1'—C2' | 134.7 (6) | C38'—C39'—C40'—C41' | 0.0 |
C13'—Sn1'—C1'—C2' | −48.4 (8) | C39'—C40'—C41'—C42' | 0.0 |
O1'—Sn1'—C1'—C2' | −138.1 (4) | C40'—C41'—C42'—C37' | 0.0 |
O3'—Sn1'—C1'—C2' | 42.0 (6) | C38'—C37'—C42'—C41' | 0.0 |
C7'—Sn1'—C1'—C6' | −47.8 (7) | P2—C37'—C42'—C41' | −175.9 (4) |
C13'—Sn1'—C1'—C6' | 129.2 (7) | C37—P2—C43'—C44' | −178.5 (4) |
O1'—Sn1'—C1'—C6' | 39.4 (5) | C36—P2—C43'—C44' | 67.6 (4) |
O3'—Sn1'—C1'—C6' | −140.5 (6) | C37'—P2—C43'—C44' | 170.1 (3) |
C6'—C1'—C2'—C3' | 0.0 | C43—P2—C43'—C44' | 4.3 (6) |
Sn1'—C1'—C2'—C3' | 177.5 (4) | Ag1—P2—C43'—C44' | −53.2 (4) |
C1'—C2'—C3'—C4' | 0.0 | C37—P2—C43'—C48' | −8.0 (4) |
C2'—C3'—C4'—C5' | 0.0 | C36—P2—C43'—C48' | −121.8 (4) |
C3'—C4'—C5'—C6' | 0.0 | C37'—P2—C43'—C48' | −19.4 (4) |
C4'—C5'—C6'—C1' | 0.0 | C43—P2—C43'—C48' | 174.8 (9) |
C2'—C1'—C6'—C5' | 0.0 | Ag1—P2—C43'—C48' | 117.3 (3) |
Sn1'—C1'—C6'—C5' | −177.5 (4) | C48'—C43'—C44'—C45' | 0.0 |
C13'—Sn1'—C7'—C8' | 118.4 (11) | P2—C43'—C44'—C45' | 170.8 (4) |
C1'—Sn1'—C7'—C8' | −65.0 (10) | C43'—C44'—C45'—C46' | 0.0 |
O1'—Sn1'—C7'—C8' | −156.6 (9) | C44'—C45'—C46'—C47' | 0.0 |
O3'—Sn1'—C7'—C8' | 28.0 (9) | C45'—C46'—C47'—C48' | 0.0 |
C13'—Sn1'—C7'—C12' | −59.5 (17) | C46'—C47'—C48'—C43' | 0.0 |
C1'—Sn1'—C7'—C12' | 117.1 (11) | C44'—C43'—C48'—C47' | 0.0 |
O1'—Sn1'—C7'—C12' | 25.5 (13) | P2—C43'—C48'—C47' | −170.2 (4) |
O3'—Sn1'—C7'—C12' | −150.0 (13) | C55'—P3—C49—C50 | 74.7 (7) |
C12'—C7'—C8'—C9' | 0.0 | C61—P3—C49—C50 | −31.4 (6) |
Sn1'—C7'—C8'—C9' | −177.9 (17) | C49'—P3—C49—C50 | −92 (5) |
C7'—C8'—C9'—C10' | 0.0 | C55—P3—C49—C50 | 84.5 (6) |
C8'—C9'—C10'—C11' | 0.0 | Ag1—P3—C49—C50 | −143.9 (4) |
C9'—C10'—C11'—C12' | 0.0 | C55'—P3—C49—C54 | −104.3 (7) |
C10'—C11'—C12'—C7' | 0.0 | C61—P3—C49—C54 | 149.6 (5) |
C8'—C7'—C12'—C11' | 0.0 | C49'—P3—C49—C54 | 89 (5) |
Sn1'—C7'—C12'—C11' | 177.9 (17) | C55—P3—C49—C54 | −94.5 (7) |
C7'—Sn1'—C13'—C18' | 143.3 (12) | Ag1—P3—C49—C54 | 37.1 (7) |
C1'—Sn1'—C13'—C18' | −33.2 (16) | C54—C49—C50—C51 | 0.0 |
O1'—Sn1'—C13'—C18' | 59.5 (13) | P3—C49—C50—C51 | −179.0 (8) |
O3'—Sn1'—C13'—C18' | −125.1 (14) | C49—C50—C51—C52 | 0.0 |
C7'—Sn1'—C13'—C14' | 16.1 (16) | C50—C51—C52—C53 | 0.0 |
C1'—Sn1'—C13'—C14' | −160.5 (9) | C51—C52—C53—C54 | 0.0 |
O1'—Sn1'—C13'—C14' | −67.8 (11) | C52—C53—C54—C49 | 0.0 |
O3'—Sn1'—C13'—C14' | 107.7 (12) | C50—C49—C54—C53 | 0.0 |
C18'—C13'—C14'—C15' | 49.0 (19) | P3—C49—C54—C53 | 179.0 (8) |
Sn1'—C13'—C14'—C15' | 179.0 (11) | C55'—P3—C55—C56 | 91 (4) |
C13'—C14'—C15'—C16' | −58.9 (16) | C49—P3—C55—C56 | 27.5 (6) |
C14'—C15'—C16'—C17' | 67.0 (14) | C61—P3—C55—C56 | 139.9 (5) |
C15'—C16'—C17'—C18' | −66.0 (13) | C49'—P3—C55—C56 | 27.9 (6) |
C14'—C13'—C18'—C17' | −49.1 (19) | Ag1—P3—C55—C56 | −106.7 (5) |
Sn1'—C13'—C18'—C17' | −173.5 (11) | C55'—P3—C55—C60 | −89 (4) |
C16'—C17'—C18'—C13' | 58.6 (16) | C49—P3—C55—C60 | −153.1 (7) |
Sn1'—O1'—C19'—O2' | −6.5 (17) | C61—P3—C55—C60 | −40.7 (8) |
Sn1'—O1'—C19'—C20' | 173.1 (16) | C49'—P3—C55—C60 | −152.7 (7) |
O1'—C19'—C20'—F1' | 43.3 (10) | Ag1—P3—C55—C60 | 72.7 (8) |
O2'—C19'—C20'—F1' | −137.1 (10) | C60—C55—C56—C57 | 0.0 |
O1'—C19'—C20'—F2' | 160.8 (9) | P3—C55—C56—C57 | 179.4 (7) |
O2'—C19'—C20'—F2' | −19.6 (9) | C55—C56—C57—C58 | 0.0 |
O1'—C19'—C20'—Cl1' | −77.6 (8) | C56—C57—C58—C59 | 0.0 |
O2'—C19'—C20'—Cl1' | 102.0 (8) | C57—C58—C59—C60 | 0.0 |
Sn1'—O3'—C21'—O4' | 22.4 (11) | C58—C59—C60—C55 | 0.0 |
Sn1'—O3'—C21'—C22' | −157.5 (11) | C56—C55—C60—C59 | 0.0 |
O4'—C21'—C22'—F3' | −112.1 (9) | P3—C55—C60—C59 | −179.3 (8) |
O3'—C21'—C22'—F3' | 67.8 (10) | C55'—P3—C49'—C50' | 41.6 (6) |
O4'—C21'—C22'—F4' | 0.5 (10) | C49—P3—C49'—C50' | 55 (5) |
O3'—C21'—C22'—F4' | −179.6 (10) | C61—P3—C49'—C50' | −65.4 (5) |
O4'—C21'—C22'—Cl2' | 128.2 (8) | C55—P3—C49'—C50' | 51.6 (6) |
O3'—C21'—C22'—Cl2' | −51.9 (8) | Ag1—P3—C49'—C50' | −174.0 (4) |
P3—Ag1—P1—C23' | 45.1 (2) | C55'—P3—C49'—C54' | −138.7 (7) |
P2—Ag1—P1—C23' | −81.6 (2) | C49—P3—C49'—C54' | −125 (5) |
P4—Ag1—P1—C23' | 147.7 (2) | C61—P3—C49'—C54' | 114.2 (6) |
P3—Ag1—P1—C29 | −85.9 (3) | C55—P3—C49'—C54' | −128.7 (7) |
P2—Ag1—P1—C29 | 147.5 (3) | Ag1—P3—C49'—C54' | 5.6 (8) |
P4—Ag1—P1—C29 | 16.8 (3) | C54'—C49'—C50'—C51' | 0.0 |
P3—Ag1—P1—C35 | 150.9 (3) | P3—C49'—C50'—C51' | 179.6 (8) |
P2—Ag1—P1—C35 | 24.3 (3) | C49'—C50'—C51'—C52' | 0.0 |
P4—Ag1—P1—C35 | −106.4 (3) | C50'—C51'—C52'—C53' | 0.0 |
P3—Ag1—P1—C29' | −98.1 (3) | C51'—C52'—C53'—C54' | 0.0 |
P2—Ag1—P1—C29' | 135.3 (3) | C52'—C53'—C54'—C49' | 0.0 |
P4—Ag1—P1—C29' | 4.6 (3) | C50'—C49'—C54'—C53' | 0.0 |
P3—Ag1—P1—C23 | 34.70 (19) | P3—C49'—C54'—C53' | −179.6 (8) |
P2—Ag1—P1—C23 | −91.93 (19) | C49—P3—C55'—C56' | 42.8 (6) |
P4—Ag1—P1—C23 | 137.38 (18) | C61—P3—C55'—C56' | 150.9 (5) |
P3—Ag1—P2—C37 | 101.7 (2) | C49'—P3—C55'—C56' | 44.3 (6) |
P1—Ag1—P2—C37 | −134.5 (2) | C55—P3—C55'—C56' | −75 (4) |
P4—Ag1—P2—C37 | −11.4 (2) | Ag1—P3—C55'—C56' | −95.5 (6) |
P3—Ag1—P2—C43' | −2.5 (2) | C49—P3—C55'—C60' | −153.0 (6) |
P1—Ag1—P2—C43' | 121.3 (2) | C61—P3—C55'—C60' | −44.9 (7) |
P4—Ag1—P2—C43' | −115.6 (2) | C49'—P3—C55'—C60' | −151.5 (6) |
P3—Ag1—P2—C36 | −124.0 (2) | C55—P3—C55'—C60' | 89 (4) |
P1—Ag1—P2—C36 | −0.1 (2) | Ag1—P3—C55'—C60' | 68.7 (8) |
P4—Ag1—P2—C36 | 122.9 (2) | C60'—C55'—C56'—C57' | 0.0 |
P3—Ag1—P2—C37' | 130.27 (19) | P3—C55'—C56'—C57' | 163.7 (8) |
P1—Ag1—P2—C37' | −105.87 (19) | C55'—C56'—C57'—C58' | 0.0 |
P4—Ag1—P2—C37' | 17.17 (19) | C56'—C57'—C58'—C59' | 0.0 |
P3—Ag1—P2—C43 | −22.2 (2) | C57'—C58'—C59'—C60' | 0.0 |
P1—Ag1—P2—C43 | 101.6 (2) | C58'—C59'—C60'—C55' | 0.0 |
P4—Ag1—P2—C43 | −135.3 (2) | C56'—C55'—C60'—C59' | 0.0 |
P2—Ag1—P3—C55' | 89.3 (5) | P3—C55'—C60'—C59' | −164.4 (7) |
P1—Ag1—P3—C55' | −16.4 (5) | C55'—P3—C61—C62 | −177.6 (5) |
P4—Ag1—P3—C55' | −137.6 (5) | C49—P3—C61—C62 | −74.3 (5) |
P2—Ag1—P3—C49 | −41.2 (4) | C49'—P3—C61—C62 | −68.7 (5) |
P1—Ag1—P3—C49 | −146.9 (4) | C55—P3—C61—C62 | 174.0 (5) |
P4—Ag1—P3—C49 | 91.9 (4) | Ag1—P3—C61—C62 | 51.4 (4) |
P2—Ag1—P3—C61 | −156.1 (2) | P3—C61—C62—P4 | −59.4 (4) |
P1—Ag1—P3—C61 | 98.2 (2) | C69—P4—C62—C61 | 157.2 (4) |
P4—Ag1—P3—C61 | −23.0 (2) | C63'—P4—C62—C61 | −88.9 (4) |
P2—Ag1—P3—C49' | −46.8 (4) | C63—P4—C62—C61 | −96.4 (4) |
P1—Ag1—P3—C49' | −152.5 (4) | C69'—P4—C62—C61 | 162.8 (4) |
P4—Ag1—P3—C49' | 86.4 (4) | Ag1—P4—C62—C61 | 33.9 (4) |
P2—Ag1—P3—C55 | 85.2 (4) | C69—P4—C63—C64 | 100.3 (5) |
P1—Ag1—P3—C55 | −20.5 (4) | C63'—P4—C63—C64 | −135 (3) |
P4—Ag1—P3—C55 | −141.7 (4) | C62—P4—C63—C64 | −1.9 (6) |
P3—Ag1—P4—C69 | −109.0 (2) | C69'—P4—C63—C64 | 108.8 (5) |
P2—Ag1—P4—C69 | 21.0 (2) | Ag1—P4—C63—C64 | −117.7 (5) |
P1—Ag1—P4—C69 | 128.2 (2) | C69—P4—C63—C68 | −81.6 (5) |
P3—Ag1—P4—C63' | 117.8 (3) | C63'—P4—C63—C68 | 43 (2) |
P2—Ag1—P4—C63' | −112.2 (3) | C62—P4—C63—C68 | 176.2 (4) |
P1—Ag1—P4—C63' | −5.0 (3) | C69'—P4—C63—C68 | −73.2 (5) |
P3—Ag1—P4—C62 | −1.4 (2) | Ag1—P4—C63—C68 | 60.4 (5) |
P2—Ag1—P4—C62 | 128.6 (2) | C68—C63—C64—C65 | 0.0 |
P1—Ag1—P4—C62 | −124.2 (2) | P4—C63—C64—C65 | 178.0 (7) |
P3—Ag1—P4—C63 | 114.5 (3) | C63—C64—C65—C66 | 0.0 |
P2—Ag1—P4—C63 | −115.5 (3) | C64—C65—C66—C67 | 0.0 |
P1—Ag1—P4—C63 | −8.3 (3) | C65—C66—C67—C68 | 0.0 |
P3—Ag1—P4—C69' | −122.4 (3) | C66—C67—C68—C63 | 0.0 |
P2—Ag1—P4—C69' | 7.6 (3) | C64—C63—C68—C67 | 0.0 |
P1—Ag1—P4—C69' | 114.8 (3) | P4—C63—C68—C67 | −178.1 (6) |
C23'—P1—C23—C24 | 52.7 (9) | C63'—P4—C69—C70 | −161.5 (4) |
C29—P1—C23—C24 | −21.0 (4) | C62—P4—C69—C70 | −47.1 (4) |
C35—P1—C23—C24 | 91.4 (4) | C63—P4—C69—C70 | −152.9 (4) |
C29'—P1—C23—C24 | −23.0 (4) | C69'—P4—C69—C70 | 160.3 (16) |
Ag1—P1—C23—C24 | −158.1 (3) | Ag1—P4—C69—C70 | 63.0 (4) |
C23'—P1—C23—C28 | −127.5 (10) | C63'—P4—C69—C74 | 21.6 (4) |
C29—P1—C23—C28 | 158.7 (4) | C62—P4—C69—C74 | 135.9 (3) |
C35—P1—C23—C28 | −88.8 (3) | C63—P4—C69—C74 | 30.1 (4) |
C29'—P1—C23—C28 | 156.7 (4) | C69'—P4—C69—C74 | −16.7 (13) |
Ag1—P1—C23—C28 | 21.6 (3) | Ag1—P4—C69—C74 | −114.0 (3) |
C28—C23—C24—C25 | 0.0 | C74—C69—C70—C71 | 0.0 |
P1—C23—C24—C25 | 179.7 (4) | P4—C69—C70—C71 | −176.9 (5) |
C23—C24—C25—C26 | 0.0 | C69—C70—C71—C72 | 0.0 |
C24—C25—C26—C27 | 0.0 | C69—C70—C71—C71i | −132.0 (6) |
C25—C26—C27—C28 | 0.0 | C70—C71—C72—C73 | 0.0 |
C26—C27—C28—C23 | 0.0 | C71i—C71—C72—C73 | 122.0 (7) |
C24—C23—C28—C27 | 0.0 | C71—C72—C73—C74 | 0.0 |
P1—C23—C28—C27 | −179.7 (4) | C72—C73—C74—C69 | 0.0 |
C23'—P1—C29—C30 | −99.8 (5) | C70—C69—C74—C73 | 0.0 |
C35—P1—C29—C30 | 162.3 (5) | P4—C69—C74—C73 | 177.1 (5) |
C29'—P1—C29—C30 | 88.9 (17) | C69—P4—C63'—C64' | 72.0 (5) |
C23—P1—C29—C30 | −83.8 (5) | C62—P4—C63'—C64' | −34.7 (5) |
Ag1—P1—C29—C30 | 42.1 (6) | C63—P4—C63'—C64' | 14 (2) |
C23'—P1—C29—C34 | 87.7 (5) | C69'—P4—C63'—C64' | 79.3 (4) |
C35—P1—C29—C34 | −10.3 (6) | Ag1—P4—C63'—C64' | −150.0 (3) |
C29'—P1—C29—C34 | −83.6 (17) | C69—P4—C63'—C68' | −101.1 (5) |
C23—P1—C29—C34 | 103.6 (5) | C62—P4—C63'—C68' | 152.2 (4) |
Ag1—P1—C29—C34 | −130.4 (4) | C63—P4—C63'—C68' | −159 (3) |
C34—C29—C30—C31 | 0.0 | C69'—P4—C63'—C68' | −93.8 (4) |
P1—C29—C30—C31 | −172.6 (6) | Ag1—P4—C63'—C68' | 36.9 (5) |
C29—C30—C31—C32 | 0.0 | C68'—C63'—C64'—C65' | 0.0 |
C30—C31—C32—C33 | 0.0 | P4—C63'—C64'—C65' | −173.0 (6) |
C31—C32—C33—C34 | 0.0 | C63'—C64'—C65'—C66' | 0.0 |
C32—C33—C34—C29 | 0.0 | C64'—C65'—C66'—C67' | 0.0 |
C30—C29—C34—C33 | 0.0 | C65'—C66'—C67'—C68' | 0.0 |
P1—C29—C34—C33 | 172.4 (6) | C66'—C67'—C68'—C63' | 0.0 |
C29—P1—C23'—C24' | −66.6 (4) | C64'—C63'—C68'—C67' | 0.0 |
C35—P1—C23'—C24' | 41.8 (4) | P4—C63'—C68'—C67' | 173.2 (6) |
C29'—P1—C23'—C24' | −64.3 (4) | C69—P4—C69'—C70' | −82.0 (14) |
C23—P1—C23'—C24' | −174.5 (11) | C63'—P4—C69'—C70' | 134.4 (4) |
Ag1—P1—C23'—C24' | 149.7 (3) | C62—P4—C69'—C70' | −110.7 (3) |
C29—P1—C23'—C28' | 110.3 (4) | C63—P4—C69'—C70' | 143.4 (4) |
C35—P1—C23'—C28' | −141.3 (3) | Ag1—P4—C69'—C70' | 7.4 (4) |
C29'—P1—C23'—C28' | 112.6 (4) | C69—P4—C69'—C74' | 97.9 (15) |
C23—P1—C23'—C28' | 2.4 (8) | C63'—P4—C69'—C74' | −45.7 (5) |
Ag1—P1—C23'—C28' | −33.4 (4) | C62—P4—C69'—C74' | 69.2 (4) |
C28'—C23'—C24'—C25' | 0.0 | C63—P4—C69'—C74' | −36.7 (5) |
P1—C23'—C24'—C25' | 176.8 (4) | Ag1—P4—C69'—C74' | −172.7 (3) |
C23'—C24'—C25'—C26' | 0.0 | C74'—C69'—C70'—C71' | 0.0 |
C24'—C25'—C26'—C27' | 0.0 | P4—C69'—C70'—C71' | 179.9 (5) |
C25'—C26'—C27'—C28' | 0.0 | C69'—C70'—C71'—C72' | 0.0 |
C26'—C27'—C28'—C23' | 0.0 | C70'—C71'—C72'—C73' | 0.0 |
C24'—C23'—C28'—C27' | 0.0 | C71'—C72'—C73'—C74' | 0.0 |
P1—C23'—C28'—C27' | −177.0 (4) | C72'—C73'—C74'—C69' | 0.0 |
C23'—P1—C29'—C30' | −103.2 (5) | C70'—C69'—C74'—C73' | 0.0 |
C29—P1—C29'—C30' | −94.1 (17) | P4—C69'—C74'—C73' | −179.9 (5) |
Symmetry code: (i) −x+1, −y+2, −z. |
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