metal-organic compounds
The title compound, [WIr3(η-C10H15)(μ3-η2-C14H10)2(CO)7], is a mixed-metal cluster with a tetrahedral metal core geometry. One diphenylacetylene ligand is μ3-η2-coordinated to the triiridium face, while the other is μ3-η2-coordinated to a diiridiumtungsten face. The W atom is ligated by a pentamethylcyclopentadienyl ligand and a terminal carbonyl, and the Ir atoms are each ligated by two terminal carbonyls.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804006439/cf6329sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804006439/cf6329Isup2.hkl |
CCDC reference: 238669
Key indicators
- Single-crystal X-ray study
- T = 200 K
- Mean (C-C) = 0.012 Å
- R factor = 0.022
- wR factor = 0.025
- Data-to-parameter ratio = 10.2
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.81 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir1 - C11 .. 5.41 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir2 - C22 .. 5.45 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ir3 - C32 .. 5.26 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) W4 - C41 .. 5.99 su PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 12 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C101 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C201 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C301 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C401 PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ...... C501 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 149 IR2 -W4 -C41 -O41 -177.60 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 325 O11 -C11 -IR1 -C12 -174.40 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 326 O11 -C11 -IR1 -C50 75.10 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 327 O11 -C11 -IR1 -C60 56.10 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 328 O12 -C12 -IR1 -C11 -82.40 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 329 O12 -C12 -IR1 -C50 60.70 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 330 O12 -C12 -IR1 -C60 32.50 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 331 O21 -C21 -IR2 -C22 82.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 332 O21 -C21 -IR2 -C50 -17.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 333 O21 -C21 -IR2 -C70 173.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 334 O22 -C22 -IR2 -C21 142.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 335 O22 -C22 -IR2 -C50 -117.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 336 O22 -C22 -IR2 -C70 31.00 8.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 337 O31 -C31 -IR3 -C32 -121.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 338 O31 -C31 -IR3 -C60 -27.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 339 O31 -C31 -IR3 -C80 142.00 10.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 340 O32 -C32 -IR3 -C31 138.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 341 O32 -C32 -IR3 -C60 36.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 342 O32 -C32 -IR3 -C80 -112.00 9.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 343 O41 -C41 -W4 -C1 -33.40 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 344 O41 -C41 -W4 -C2 -0.30 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 345 O41 -C41 -W4 -C3 23.00 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 346 O41 -C41 -W4 -C4 7.40 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 347 O41 -C41 -W4 -C5 -34.20 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 348 O41 -C41 -W4 -C70 121.50 0.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 349 O41 -C41 -W4 -C80 125.00 0.10 1.555 1.555 1.555 1.555 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 15
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 39 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 33 ALERT type 4 Improvement, methodology, query or suggestion
Computing details top
Data collection: COLLECT (Nonius, 1997); cell refinement: DENZO and SCALEPACK; data reduction: DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Watkin et al., 2001); molecular graphics: TEXSAN (Molecular Structure Corporation, 1992-1997); software used to prepare material for publication: CRYSTALS.
(I) top
Crystal data top
[WIr3(C10H15)(C14H10)2(CO)7] | F(000) = 2664.0 |
Mr = 1448.28 | Dx = 2.354 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 15.7919 (2) Å | Cell parameters from 62525 reflections |
b = 14.3952 (2) Å | θ = 3–27° |
c = 17.9788 (2) Å | µ = 12.59 mm−1 |
β = 90.7217 (6)° | T = 200 K |
V = 4086.75 (9) Å3 | Needle, black |
Z = 4 | 0.22 × 0.10 × 0.08 mm |
Data collection top
Nonius KappaCCD diffractometer | 5135 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.07 |
φ and ω scans | θmax = 27.5°, θmin = 4.1° |
Absorption correction: integration (Coppens, 1970; Mackay et al., 2000) | h = −20→20 |
Tmin = 0.179, Tmax = 0.410 | k = −18→18 |
85630 measured reflections | l = −23→21 |
9375 independent reflections |
Refinement top
Refinement on F | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.022 | H-atom parameters constrained |
wR(F2) = 0.025 | Chebychev polynomial with 5 parameters (Carruthers & Watkin, 1979): 0.912, 0.196, 1.01, 0.0217, 0.309 |
S = 1.08 | (Δ/σ)max = 0.006 |
5135 reflections | Δρmax = 1.10 e Å−3 |
505 parameters | Δρmin = −1.59 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Ir1 | 0.353028 (16) | 0.486777 (19) | 0.230850 (14) | 0.0260 | |
Ir2 | 0.186575 (16) | 0.462663 (18) | 0.202781 (13) | 0.0237 | |
Ir3 | 0.254372 (16) | 0.390067 (19) | 0.321846 (13) | 0.0246 | |
W4 | 0.299360 (16) | 0.316804 (19) | 0.181666 (14) | 0.0249 | |
O11 | 0.5215 (4) | 0.4223 (5) | 0.2929 (4) | 0.0603 | |
O12 | 0.4248 (5) | 0.6108 (5) | 0.1120 (4) | 0.0692 | |
O21 | 0.1687 (4) | 0.5606 (4) | 0.0530 (3) | 0.0593 | |
O22 | 0.0084 (3) | 0.4782 (4) | 0.2661 (3) | 0.0481 | |
O31 | 0.3845 (3) | 0.3182 (4) | 0.4354 (3) | 0.0475 | |
O32 | 0.1027 (4) | 0.4130 (5) | 0.4228 (3) | 0.0599 | |
O41 | 0.4190 (4) | 0.2140 (5) | 0.2955 (3) | 0.0622 | |
C1 | 0.4126 (5) | 0.2925 (6) | 0.1002 (4) | 0.0439 | |
C2 | 0.3815 (5) | 0.2031 (6) | 0.1172 (4) | 0.0424 | |
C3 | 0.2979 (5) | 0.1948 (5) | 0.0902 (4) | 0.0369 | |
C4 | 0.2771 (5) | 0.2782 (5) | 0.0541 (4) | 0.0354 | |
C5 | 0.3473 (5) | 0.3414 (5) | 0.0594 (3) | 0.0367 | |
C11 | 0.4582 (5) | 0.4489 (6) | 0.2676 (5) | 0.0461 | |
C12 | 0.3973 (5) | 0.5619 (6) | 0.1556 (4) | 0.0415 | |
C21 | 0.1748 (5) | 0.5202 (5) | 0.1070 (4) | 0.0378 | |
C22 | 0.0745 (5) | 0.4760 (5) | 0.2412 (4) | 0.0328 | |
C31 | 0.3345 (5) | 0.3422 (5) | 0.3938 (4) | 0.0359 | |
C32 | 0.1608 (5) | 0.4012 (5) | 0.3858 (4) | 0.0387 | |
C41 | 0.3739 (5) | 0.2535 (6) | 0.2550 (4) | 0.0435 | |
C50 | 0.2432 (4) | 0.5740 (5) | 0.2618 (4) | 0.0318 | |
C51 | 0.2296 (5) | 0.6742 (5) | 0.2443 (4) | 0.0358 | |
C52 | 0.2955 (5) | 0.7385 (5) | 0.2430 (5) | 0.0456 | |
C53 | 0.2802 (6) | 0.8313 (6) | 0.2275 (6) | 0.0601 | |
C54 | 0.2008 (6) | 0.8626 (6) | 0.2139 (6) | 0.0581 | |
C55 | 0.1347 (6) | 0.8004 (6) | 0.2162 (7) | 0.0697 | |
C56 | 0.1487 (5) | 0.7067 (6) | 0.2301 (6) | 0.0565 | |
C60 | 0.2797 (4) | 0.5367 (5) | 0.3268 (4) | 0.0331 | |
C61 | 0.3062 (5) | 0.5867 (5) | 0.3957 (4) | 0.0368 | |
C62 | 0.2571 (6) | 0.6594 (7) | 0.4217 (4) | 0.0535 | |
C63 | 0.2791 (7) | 0.7033 (7) | 0.4882 (5) | 0.0683 | |
C64 | 0.3501 (7) | 0.6773 (8) | 0.5276 (5) | 0.0672 | |
C65 | 0.3989 (6) | 0.6053 (7) | 0.5016 (4) | 0.0510 | |
C66 | 0.3768 (5) | 0.5606 (5) | 0.4365 (4) | 0.0412 | |
C70 | 0.1605 (4) | 0.3146 (4) | 0.1957 (3) | 0.0264 | |
C71 | 0.0894 (4) | 0.2728 (5) | 0.1504 (4) | 0.0307 | |
C72 | 0.0744 (5) | 0.1764 (5) | 0.1504 (4) | 0.0356 | |
C73 | 0.0120 (5) | 0.1384 (6) | 0.1035 (4) | 0.0423 | |
C74 | −0.0361 (5) | 0.1944 (6) | 0.0574 (4) | 0.0453 | |
C75 | −0.0253 (5) | 0.2897 (6) | 0.0601 (4) | 0.0430 | |
C76 | 0.0369 (4) | 0.3283 (5) | 0.1057 (4) | 0.0376 | |
C80 | 0.2002 (4) | 0.2732 (4) | 0.2581 (3) | 0.0293 | |
C81 | 0.1720 (5) | 0.1896 (5) | 0.3000 (3) | 0.0342 | |
C82 | 0.0914 (5) | 0.1911 (6) | 0.3315 (4) | 0.0446 | |
C83 | 0.0628 (7) | 0.1142 (8) | 0.3723 (5) | 0.0637 | |
C84 | 0.1143 (8) | 0.0382 (8) | 0.3811 (5) | 0.0752 | |
C85 | 0.1931 (8) | 0.0350 (6) | 0.3496 (5) | 0.0637 | |
C86 | 0.2227 (6) | 0.1102 (6) | 0.3100 (4) | 0.0476 | |
C101 | 0.5029 (6) | 0.3247 (8) | 0.1087 (6) | 0.0701 | |
C201 | 0.4321 (6) | 0.1206 (7) | 0.1467 (5) | 0.0623 | |
C301 | 0.2507 (6) | 0.1041 (5) | 0.0862 (5) | 0.0511 | |
C401 | 0.2007 (5) | 0.2963 (6) | 0.0047 (4) | 0.0456 | |
C501 | 0.3571 (6) | 0.4272 (6) | 0.0140 (4) | 0.0544 | |
H521 | 0.3549 | 0.7174 | 0.2533 | 0.0547* | |
H531 | 0.3287 | 0.8759 | 0.2263 | 0.0723* | |
H541 | 0.1904 | 0.9296 | 0.2024 | 0.0697* | |
H551 | 0.0755 | 0.8231 | 0.2078 | 0.0836* | |
H561 | 0.0998 | 0.6625 | 0.2297 | 0.0677* | |
H621 | 0.2061 | 0.6803 | 0.3928 | 0.0643* | |
H631 | 0.2426 | 0.7545 | 0.5075 | 0.0820* | |
H641 | 0.3663 | 0.7102 | 0.5747 | 0.0806* | |
H651 | 0.4506 | 0.5855 | 0.5300 | 0.0612* | |
H661 | 0.4126 | 0.5082 | 0.4184 | 0.0494* | |
H721 | 0.1085 | 0.1349 | 0.1839 | 0.0426* | |
H731 | 0.0021 | 0.0698 | 0.1036 | 0.0508* | |
H741 | −0.0785 | 0.1663 | 0.0222 | 0.0543* | |
H751 | −0.0624 | 0.3309 | 0.0290 | 0.0514* | |
H761 | 0.0442 | 0.3973 | 0.1066 | 0.0451* | |
H821 | 0.0542 | 0.2467 | 0.3248 | 0.0536* | |
H831 | 0.0053 | 0.1150 | 0.3949 | 0.0764* | |
H841 | 0.0942 | −0.0160 | 0.4109 | 0.0901* | |
H851 | 0.2290 | −0.0218 | 0.3554 | 0.0760* | |
H861 | 0.2807 | 0.1082 | 0.2882 | 0.0570* | |
H1011 | 0.5362 | 0.3036 | 0.0649 | 0.0841* | |
H1012 | 0.5043 | 0.3940 | 0.1117 | 0.0841* | |
H1013 | 0.5281 | 0.2978 | 0.1553 | 0.0841* | |
H2011 | 0.4589 | 0.0873 | 0.1042 | 0.0749* | |
H2012 | 0.4771 | 0.1431 | 0.1819 | 0.0749* | |
H2013 | 0.3934 | 0.0772 | 0.1733 | 0.0749* | |
H3011 | 0.2660 | 0.0707 | 0.0394 | 0.0614* | |
H3012 | 0.2665 | 0.0649 | 0.1301 | 0.0614* | |
H3013 | 0.1884 | 0.1163 | 0.0862 | 0.0614* | |
H4011 | 0.2114 | 0.2714 | −0.0462 | 0.0547* | |
H4012 | 0.1901 | 0.3647 | 0.0017 | 0.0547* | |
H4013 | 0.1500 | 0.2648 | 0.0260 | 0.0547* | |
H5011 | 0.3795 | 0.4105 | −0.0360 | 0.0654* | |
H5012 | 0.3975 | 0.4705 | 0.0396 | 0.0654* | |
H5013 | 0.3008 | 0.4583 | 0.0079 | 0.0654* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ir1 | 0.02302 (12) | 0.03049 (14) | 0.02446 (12) | −0.00060 (11) | 0.00027 (9) | −0.0007 (1) |
Ir2 | 0.02365 (13) | 0.02540 (13) | 0.02196 (12) | 0.0011 (1) | −0.00268 (9) | 0.0001 (1) |
Ir3 | 0.02526 (13) | 0.02913 (14) | 0.01948 (11) | −0.0012 (1) | −0.00198 (9) | 0.0004 (1) |
W4 | 0.02557 (13) | 0.02782 (14) | 0.02114 (12) | 0.00385 (11) | −0.00190 (9) | −0.00045 (11) |
O11 | 0.036 (3) | 0.069 (4) | 0.076 (4) | 0.010 (3) | −0.022 (3) | −0.006 (3) |
O12 | 0.087 (5) | 0.063 (4) | 0.058 (4) | −0.020 (4) | 0.020 (4) | 0.017 (3) |
O21 | 0.077 (4) | 0.066 (4) | 0.035 (3) | 0.009 (3) | −0.010 (3) | 0.016 (3) |
O22 | 0.029 (3) | 0.066 (4) | 0.050 (3) | −0.001 (3) | 0.008 (2) | −0.004 (3) |
O31 | 0.038 (3) | 0.071 (4) | 0.033 (3) | 0.000 (3) | −0.014 (2) | 0.011 (3) |
O32 | 0.046 (3) | 0.085 (5) | 0.049 (3) | 0.021 (3) | 0.018 (3) | 0.010 (3) |
O41 | 0.068 (4) | 0.075 (4) | 0.044 (3) | 0.040 (4) | −0.018 (3) | −0.000 (3) |
C1 | 0.035 (4) | 0.064 (5) | 0.033 (4) | 0.011 (4) | 0.007 (3) | −0.010 (4) |
C2 | 0.045 (4) | 0.044 (5) | 0.039 (4) | 0.021 (4) | −0.001 (3) | −0.012 (3) |
C3 | 0.048 (4) | 0.037 (4) | 0.026 (3) | 0.010 (3) | 0.004 (3) | −0.003 (3) |
C4 | 0.041 (4) | 0.037 (4) | 0.028 (3) | 0.007 (3) | 0.001 (3) | −0.012 (3) |
C5 | 0.042 (4) | 0.048 (4) | 0.020 (3) | 0.001 (3) | 0.007 (3) | −0.008 (3) |
C11 | 0.040 (4) | 0.050 (5) | 0.049 (4) | −0.002 (4) | 0.005 (4) | −0.009 (4) |
C12 | 0.036 (4) | 0.041 (5) | 0.048 (4) | −0.003 (3) | 0.001 (3) | −0.004 (4) |
C21 | 0.042 (4) | 0.034 (4) | 0.038 (4) | −0.000 (3) | −0.002 (3) | −0.006 (3) |
C22 | 0.039 (4) | 0.031 (4) | 0.028 (3) | −0.001 (3) | −0.011 (3) | −0.001 (3) |
C31 | 0.039 (4) | 0.043 (4) | 0.026 (3) | −0.001 (3) | 0.004 (3) | −0.004 (3) |
C32 | 0.035 (4) | 0.042 (4) | 0.039 (4) | 0.004 (3) | −0.010 (3) | 0.003 (3) |
C41 | 0.052 (5) | 0.040 (4) | 0.038 (4) | 0.011 (4) | 0.002 (3) | −0.013 (3) |
C50 | 0.033 (4) | 0.033 (4) | 0.029 (3) | −0.000 (3) | −0.006 (3) | −0.007 (3) |
C51 | 0.043 (4) | 0.031 (4) | 0.033 (4) | 0.001 (3) | 0.003 (3) | −0.003 (3) |
C52 | 0.033 (4) | 0.039 (4) | 0.065 (5) | −0.004 (3) | 0.002 (4) | −0.004 (4) |
C53 | 0.060 (6) | 0.035 (5) | 0.086 (7) | −0.016 (4) | 0.015 (5) | 0.000 (4) |
C54 | 0.056 (6) | 0.036 (5) | 0.082 (7) | 0.003 (4) | −0.001 (5) | 0.003 (4) |
C55 | 0.053 (6) | 0.035 (5) | 0.120 (9) | 0.015 (4) | −0.013 (6) | 0.002 (5) |
C56 | 0.033 (4) | 0.036 (4) | 0.100 (7) | −0.001 (4) | −0.008 (4) | 0.001 (5) |
C60 | 0.034 (4) | 0.036 (4) | 0.029 (3) | −0.003 (3) | 0.007 (3) | −0.003 (3) |
C61 | 0.034 (4) | 0.045 (4) | 0.032 (4) | −0.007 (3) | 0.003 (3) | −0.003 (3) |
C62 | 0.054 (5) | 0.067 (6) | 0.039 (4) | 0.004 (4) | 0.001 (4) | −0.023 (4) |
C63 | 0.081 (7) | 0.065 (7) | 0.058 (6) | 0.003 (5) | 0.009 (5) | −0.030 (5) |
C64 | 0.087 (7) | 0.082 (7) | 0.032 (4) | −0.031 (6) | 0.003 (4) | −0.016 (5) |
C65 | 0.054 (5) | 0.069 (6) | 0.031 (4) | −0.017 (5) | −0.009 (3) | −0.004 (4) |
C66 | 0.047 (4) | 0.040 (4) | 0.036 (4) | −0.007 (3) | −0.002 (3) | −0.001 (3) |
C70 | 0.037 (4) | 0.023 (3) | 0.019 (3) | 0.003 (3) | 0.001 (2) | −0.004 (2) |
C71 | 0.028 (3) | 0.034 (4) | 0.030 (3) | −0.003 (3) | −0.003 (3) | 0.002 (3) |
C72 | 0.043 (4) | 0.040 (4) | 0.024 (3) | 0.000 (3) | −0.005 (3) | −0.002 (3) |
C73 | 0.047 (5) | 0.039 (4) | 0.041 (4) | −0.006 (4) | −0.001 (3) | −0.003 (3) |
C74 | 0.039 (4) | 0.054 (5) | 0.043 (4) | −0.013 (4) | 0.002 (3) | −0.015 (4) |
C75 | 0.037 (4) | 0.052 (5) | 0.039 (4) | 0.005 (4) | −0.012 (3) | −0.009 (4) |
C76 | 0.036 (4) | 0.037 (4) | 0.040 (4) | 0.002 (3) | −0.006 (3) | −0.001 (3) |
C80 | 0.038 (4) | 0.025 (3) | 0.025 (3) | −0.004 (3) | −0.001 (3) | −0.003 (3) |
C81 | 0.047 (4) | 0.038 (4) | 0.017 (3) | −0.011 (3) | −0.006 (3) | 0.002 (3) |
C82 | 0.044 (4) | 0.050 (5) | 0.040 (4) | −0.016 (4) | −0.005 (3) | 0.008 (4) |
C83 | 0.069 (6) | 0.085 (8) | 0.037 (4) | −0.038 (6) | −0.007 (4) | 0.005 (5) |
C84 | 0.11 (1) | 0.066 (7) | 0.044 (5) | −0.054 (7) | −0.022 (6) | 0.014 (5) |
C85 | 0.112 (9) | 0.035 (5) | 0.043 (5) | −0.012 (5) | −0.030 (5) | 0.004 (4) |
C86 | 0.065 (5) | 0.042 (5) | 0.035 (4) | −0.002 (4) | −0.008 (4) | 0.007 (4) |
C101 | 0.041 (5) | 0.103 (9) | 0.067 (6) | −0.006 (5) | 0.010 (4) | −0.032 (6) |
C201 | 0.071 (6) | 0.062 (6) | 0.054 (5) | 0.033 (5) | 0.003 (5) | −0.004 (5) |
C301 | 0.075 (6) | 0.033 (4) | 0.045 (4) | 0.003 (4) | 0.009 (4) | −0.007 (4) |
C401 | 0.048 (5) | 0.058 (5) | 0.031 (4) | 0.011 (4) | −0.008 (3) | −0.008 (3) |
C501 | 0.079 (7) | 0.052 (5) | 0.033 (4) | −0.004 (5) | 0.011 (4) | 0.001 (4) |
Geometric parameters (Å, º) top
Ir1—Ir2 | 2.6928 (4) | C55—H551 | 1.000 |
Ir1—Ir3 | 2.6657 (4) | C56—H561 | 1.000 |
Ir1—W4 | 2.7328 (4) | C60—C61 | 1.49 (1) |
Ir1—C11 | 1.862 (8) | C61—C62 | 1.387 (11) |
Ir1—C12 | 1.875 (8) | C61—C66 | 1.38 (1) |
Ir1—C50 | 2.217 (7) | C62—C63 | 1.392 (12) |
Ir1—C60 | 2.210 (6) | C62—H621 | 1.000 |
Ir2—Ir3 | 2.6006 (3) | C63—C64 | 1.371 (14) |
Ir2—W4 | 2.7825 (4) | C63—H631 | 1.000 |
Ir2—C21 | 1.917 (8) | C64—C65 | 1.377 (14) |
Ir2—C22 | 1.917 (7) | C64—H641 | 1.000 |
Ir2—C50 | 2.114 (7) | C65—C66 | 1.38 (1) |
Ir2—C70 | 2.175 (6) | C65—H651 | 1.000 |
Ir3—W4 | 2.8309 (4) | C66—H661 | 1.000 |
Ir3—C31 | 1.925 (7) | C70—C71 | 1.504 (9) |
Ir3—C32 | 1.890 (8) | C70—C80 | 1.411 (9) |
Ir3—C60 | 2.150 (7) | C71—C72 | 1.41 (1) |
Ir3—C80 | 2.202 (6) | C71—C76 | 1.398 (9) |
W4—C1 | 2.352 (7) | C72—C73 | 1.40 (1) |
W4—C2 | 2.397 (7) | C72—H721 | 1.000 |
W4—C3 | 2.405 (7) | C73—C74 | 1.378 (11) |
W4—C4 | 2.381 (6) | C73—H731 | 1.000 |
W4—C5 | 2.362 (6) | C74—C75 | 1.383 (11) |
W4—C41 | 1.979 (8) | C74—H741 | 1.000 |
W4—C70 | 2.211 (7) | C75—C76 | 1.39 (1) |
W4—C80 | 2.188 (7) | C75—H751 | 1.000 |
O11—C11 | 1.157 (9) | C76—H761 | 1.000 |
O12—C12 | 1.143 (9) | C80—C81 | 1.491 (9) |
O21—C21 | 1.135 (9) | C81—C82 | 1.399 (11) |
O22—C22 | 1.142 (8) | C81—C86 | 1.405 (11) |
O31—C31 | 1.135 (8) | C82—C83 | 1.406 (12) |
O32—C32 | 1.153 (9) | C82—H821 | 1.000 |
O41—C41 | 1.160 (9) | C83—C84 | 1.371 (16) |
C1—C2 | 1.413 (12) | C83—H831 | 1.000 |
C1—C5 | 1.442 (11) | C84—C85 | 1.374 (15) |
C1—C101 | 1.505 (11) | C84—H841 | 1.000 |
C2—C3 | 1.41 (1) | C85—C86 | 1.382 (12) |
C2—C201 | 1.522 (11) | C85—H851 | 1.000 |
C3—C4 | 1.40 (1) | C86—H861 | 1.000 |
C3—C301 | 1.505 (11) | C101—H1011 | 1.000 |
C4—C5 | 1.44 (1) | C101—H1012 | 1.000 |
C4—C401 | 1.51 (1) | C101—H1013 | 1.000 |
C5—C501 | 1.489 (11) | C201—H2011 | 1.000 |
C50—C51 | 1.49 (1) | C201—H2012 | 1.000 |
C50—C60 | 1.403 (9) | C201—H2013 | 1.000 |
C51—C52 | 1.39 (1) | C301—H3011 | 1.000 |
C51—C56 | 1.382 (11) | C301—H3012 | 1.000 |
C52—C53 | 1.384 (11) | C301—H3013 | 1.000 |
C52—H521 | 1.000 | C401—H4011 | 1.000 |
C53—C54 | 1.351 (12) | C401—H4012 | 1.000 |
C53—H531 | 1.000 | C401—H4013 | 1.000 |
C54—C55 | 1.377 (13) | C501—H5011 | 1.000 |
C54—H541 | 1.000 | C501—H5012 | 1.000 |
C55—C56 | 1.388 (12) | C501—H5013 | 1.000 |
Ir2—Ir1—Ir3 | 58.063 (9) | C5—C4—C401 | 122.6 (7) |
Ir2—Ir1—W4 | 61.70 (1) | W4—C5—C1 | 71.8 (4) |
Ir3—Ir1—W4 | 63.24 (1) | W4—C5—C4 | 73.1 (4) |
Ir2—Ir1—C11 | 153.3 (3) | C1—C5—C4 | 105.7 (7) |
Ir3—Ir1—C11 | 98.9 (3) | W4—C5—C501 | 132.2 (5) |
W4—Ir1—C11 | 97.2 (3) | C1—C5—C501 | 127.3 (8) |
Ir2—Ir1—C12 | 108.1 (2) | C4—C5—C501 | 125.1 (7) |
Ir3—Ir1—C12 | 166.1 (2) | Ir1—C11—O11 | 176.5 (8) |
W4—Ir1—C12 | 113.6 (2) | Ir1—C12—O12 | 176.9 (7) |
C11—Ir1—C12 | 94.9 (3) | Ir2—C21—O21 | 174.8 (7) |
Ir2—Ir1—C50 | 49.87 (17) | Ir2—C22—O22 | 175.4 (6) |
Ir3—Ir1—C50 | 71.16 (19) | Ir3—C31—O31 | 176.2 (7) |
W4—Ir1—C50 | 110.36 (17) | Ir3—C32—O32 | 175.9 (7) |
C11—Ir1—C50 | 140.7 (3) | W4—C41—O41 | 177.0 (6) |
C12—Ir1—C50 | 98.9 (3) | Ir1—C50—Ir2 | 76.8 (2) |
Ir2—Ir1—C60 | 70.62 (18) | Ir1—C50—C51 | 127.4 (5) |
Ir3—Ir1—C60 | 51.29 (19) | Ir2—C50—C51 | 124.6 (5) |
W4—Ir1—C60 | 112.34 (18) | Ir1—C50—C60 | 71.2 (4) |
C11—Ir1—C60 | 107.0 (3) | Ir2—C50—C60 | 107.1 (5) |
C12—Ir1—C60 | 125.5 (3) | C51—C50—C60 | 127.0 (6) |
C50—Ir1—C60 | 37.0 (2) | C50—C51—C52 | 122.7 (7) |
Ir1—Ir2—Ir3 | 60.446 (9) | C50—C51—C56 | 119.9 (7) |
Ir1—Ir2—W4 | 59.856 (9) | C52—C51—C56 | 117.4 (7) |
Ir3—Ir2—W4 | 63.35 (1) | C51—C52—C53 | 121.0 (8) |
Ir1—Ir2—C21 | 101.3 (2) | C51—C52—H521 | 119.5 |
Ir3—Ir2—C21 | 161.2 (2) | C53—C52—H521 | 119.5 |
W4—Ir2—C21 | 105.0 (2) | C52—C53—C54 | 121.2 (8) |
Ir1—Ir2—C22 | 145.36 (19) | C52—C53—H531 | 119.4 |
Ir3—Ir2—C22 | 96.67 (19) | C54—C53—H531 | 119.4 |
W4—Ir2—C22 | 136.1 (2) | C53—C54—C55 | 118.6 (8) |
C21—Ir2—C22 | 101.6 (3) | C53—C54—H541 | 120.7 |
Ir1—Ir2—C50 | 53.29 (18) | C55—C54—H541 | 120.7 |
Ir3—Ir2—C50 | 74.01 (19) | C54—C55—C56 | 121.2 (9) |
W4—Ir2—C50 | 111.89 (18) | C54—C55—H551 | 119.4 |
C21—Ir2—C50 | 99.1 (3) | C56—C55—H551 | 119.4 |
C22—Ir2—C50 | 97.5 (3) | C51—C56—C55 | 120.5 (8) |
Ir1—Ir2—C70 | 108.72 (17) | C51—C56—H561 | 119.8 |
Ir3—Ir2—C70 | 74.34 (16) | C55—C56—H561 | 119.8 |
W4—Ir2—C70 | 51.19 (17) | Ir1—C60—Ir3 | 75.4 (2) |
C21—Ir2—C70 | 110.8 (3) | Ir1—C60—C50 | 71.8 (4) |
C22—Ir2—C70 | 86.8 (3) | Ir3—C60—C50 | 105.5 (5) |
C50—Ir2—C70 | 148.3 (2) | Ir1—C60—C61 | 131.5 (5) |
Ir1—Ir3—Ir2 | 61.491 (9) | Ir3—C60—C61 | 124.0 (5) |
Ir1—Ir3—W4 | 59.537 (9) | C50—C60—C61 | 128.0 (7) |
Ir2—Ir3—W4 | 61.459 (9) | C60—C61—C62 | 119.6 (7) |
Ir1—Ir3—C31 | 102.4 (2) | C60—C61—C66 | 121.9 (7) |
Ir2—Ir3—C31 | 163.1 (2) | C62—C61—C66 | 118.5 (7) |
W4—Ir3—C31 | 107.2 (2) | C61—C62—C63 | 119.9 (9) |
Ir1—Ir3—C32 | 142.8 (2) | C61—C62—H621 | 120.0 |
Ir2—Ir3—C32 | 98.6 (2) | C63—C62—H621 | 120.0 |
W4—Ir3—C32 | 141.3 (2) | C62—C63—C64 | 120.9 (9) |
C31—Ir3—C32 | 97.7 (3) | C62—C63—H631 | 119.6 |
Ir1—Ir3—C60 | 53.33 (17) | C64—C63—H631 | 119.6 |
Ir2—Ir3—C60 | 73.37 (18) | C63—C64—C65 | 119.1 (8) |
W4—Ir3—C60 | 110.72 (17) | C63—C64—H641 | 120.4 |
C31—Ir3—C60 | 101.7 (3) | C65—C64—H641 | 120.5 |
C32—Ir3—C60 | 92.2 (3) | C64—C65—C66 | 120.3 (8) |
Ir1—Ir3—C80 | 107.80 (17) | C64—C65—H651 | 119.8 |
Ir2—Ir3—C80 | 74.07 (17) | C66—C65—H651 | 119.8 |
W4—Ir3—C80 | 49.63 (17) | C61—C66—C65 | 121.3 (8) |
C31—Ir3—C80 | 108.9 (3) | C61—C66—H661 | 119.4 |
C32—Ir3—C80 | 94.6 (3) | C65—C66—H661 | 119.4 |
C60—Ir3—C80 | 147.4 (3) | Ir2—C70—W4 | 78.8 (2) |
Ir1—W4—Ir2 | 58.443 (9) | Ir2—C70—C71 | 124.3 (4) |
Ir1—W4—Ir3 | 57.225 (9) | W4—C70—C71 | 132.8 (4) |
Ir2—W4—Ir3 | 55.191 (9) | Ir2—C70—C80 | 106.6 (4) |
Ir1—W4—C1 | 95.7 (2) | W4—C70—C80 | 70.4 (4) |
Ir2—W4—C1 | 133.6 (2) | C71—C70—C80 | 125.7 (6) |
Ir3—W4—C1 | 144.22 (19) | C70—C71—C72 | 121.2 (6) |
Ir1—W4—C2 | 126.9 (2) | C70—C71—C76 | 121.1 (6) |
Ir2—W4—C2 | 158.86 (18) | C72—C71—C76 | 117.7 (6) |
Ir3—W4—C2 | 145.94 (18) | C71—C72—C73 | 120.1 (7) |
C1—W4—C2 | 34.6 (3) | C71—C72—H721 | 119.9 |
Ir1—W4—C3 | 151.06 (18) | C73—C72—H721 | 119.9 |
Ir2—W4—C3 | 130.06 (17) | C72—C73—C74 | 120.8 (7) |
Ir3—W4—C3 | 151.65 (18) | C72—C73—H731 | 119.6 |
C1—W4—C3 | 57.8 (3) | C74—C73—H731 | 119.6 |
C2—W4—C3 | 34.0 (2) | C73—C74—C75 | 119.5 (7) |
Ir1—W4—C4 | 124.18 (19) | C73—C74—H741 | 120.3 |
Ir2—W4—C4 | 102.72 (17) | C75—C74—H741 | 120.3 |
Ir3—W4—C4 | 155.30 (17) | C74—C75—C76 | 120.3 (7) |
C1—W4—C4 | 58.0 (3) | C74—C75—H751 | 119.8 |
C2—W4—C4 | 56.6 (2) | C76—C75—H751 | 119.8 |
Ir1—W4—C5 | 93.73 (18) | C71—C76—C75 | 121.4 (7) |
Ir2—W4—C5 | 103.12 (18) | C71—C76—H761 | 119.3 |
Ir3—W4—C5 | 149.32 (19) | C75—C76—H761 | 119.3 |
C1—W4—C5 | 35.6 (3) | Ir3—C80—W4 | 80.3 (2) |
C2—W4—C5 | 58.0 (3) | Ir3—C80—C70 | 104.9 (4) |
Ir1—W4—C41 | 91.0 (2) | W4—C80—C70 | 72.2 (4) |
Ir2—W4—C41 | 129.3 (2) | Ir3—C80—C81 | 118.1 (4) |
Ir3—W4—C41 | 74.5 (2) | W4—C80—C81 | 140.3 (5) |
C1—W4—C41 | 84.0 (3) | C70—C80—C81 | 127.6 (6) |
C2—W4—C41 | 71.7 (3) | C80—C81—C82 | 118.1 (7) |
Ir1—W4—C70 | 106.27 (16) | C80—C81—C86 | 123.2 (7) |
Ir2—W4—C70 | 50.04 (16) | C82—C81—C86 | 118.7 (7) |
Ir3—W4—C70 | 69.11 (15) | C81—C82—C83 | 119.9 (9) |
C1—W4—C70 | 146.3 (2) | C81—C82—H821 | 120.0 |
C2—W4—C70 | 126.1 (3) | C83—C82—H821 | 120.0 |
Ir1—W4—C80 | 105.95 (16) | C82—C83—C84 | 119.6 (9) |
Ir2—W4—C80 | 70.51 (17) | C82—C83—H831 | 120.2 |
Ir3—W4—C80 | 50.05 (16) | C84—C83—H831 | 120.2 |
C1—W4—C80 | 154.7 (3) | C83—C84—C85 | 121.2 (9) |
C2—W4—C80 | 120.2 (3) | C83—C84—H841 | 119.4 |
C3—W4—C4 | 34.1 (2) | C85—C84—H841 | 119.4 |
C3—W4—C5 | 58.3 (3) | C84—C85—C86 | 120.1 (10) |
C4—W4—C5 | 35.3 (3) | C84—C85—H851 | 120.0 |
C3—W4—C41 | 96.9 (3) | C86—C85—H851 | 120.0 |
C4—W4—C41 | 127.9 (3) | C81—C86—C85 | 120.4 (9) |
C5—W4—C41 | 119.6 (3) | C81—C86—H861 | 119.8 |
C3—W4—C70 | 93.8 (2) | C85—C86—H861 | 119.8 |
C4—W4—C70 | 88.4 (2) | C1—C101—H1011 | 109.5 |
C5—W4—C70 | 116.0 (2) | C1—C101—H1012 | 109.5 |
C41—W4—C70 | 120.0 (3) | H1011—C101—H1012 | 109.5 |
C3—W4—C80 | 102.7 (2) | C1—C101—H1013 | 109.5 |
C4—W4—C80 | 116.1 (2) | H1011—C101—H1013 | 109.5 |
C5—W4—C80 | 150.3 (2) | H1012—C101—H1013 | 109.5 |
C41—W4—C80 | 82.8 (3) | C2—C201—H2011 | 109.5 |
C70—W4—C80 | 37.4 (2) | C2—C201—H2012 | 109.5 |
W4—C1—C2 | 74.4 (4) | H2011—C201—H2012 | 109.5 |
W4—C1—C5 | 72.5 (4) | C2—C201—H2013 | 109.5 |
C2—C1—C5 | 107.9 (7) | H2011—C201—H2013 | 109.5 |
W4—C1—C101 | 128.1 (5) | H2012—C201—H2013 | 109.5 |
C2—C1—C101 | 126.1 (8) | C3—C301—H3011 | 109.5 |
C5—C1—C101 | 124.9 (9) | C3—C301—H3012 | 109.4 |
W4—C2—C1 | 71.0 (4) | H3011—C301—H3012 | 109.5 |
W4—C2—C3 | 73.3 (4) | C3—C301—H3013 | 109.5 |
C1—C2—C3 | 109.3 (7) | H3011—C301—H3013 | 109.5 |
W4—C2—C201 | 130.5 (5) | H3012—C301—H3013 | 109.5 |
C1—C2—C201 | 127.1 (8) | C4—C401—H4011 | 109.5 |
C3—C2—C201 | 122.7 (8) | C4—C401—H4012 | 109.5 |
W4—C3—C2 | 72.6 (4) | H4011—C401—H4012 | 109.5 |
W4—C3—C4 | 72.0 (4) | C4—C401—H4013 | 109.5 |
C2—C3—C4 | 107.5 (7) | H4011—C401—H4013 | 109.5 |
W4—C3—C301 | 131.9 (5) | H4012—C401—H4013 | 109.5 |
C2—C3—C301 | 123.5 (7) | C5—C501—H5011 | 109.5 |
C4—C3—C301 | 127.4 (7) | C5—C501—H5012 | 109.5 |
W4—C4—C3 | 73.9 (4) | H5011—C501—H5012 | 109.5 |
W4—C4—C5 | 71.6 (4) | C5—C501—H5013 | 109.5 |
C3—C4—C5 | 109.6 (6) | H5011—C501—H5013 | 109.5 |
W4—C4—C401 | 129.3 (5) | H5012—C501—H5013 | 109.5 |
C3—C4—C401 | 126.9 (7) | ||
Ir1—Ir2—Ir3—W4 | −68.82 (1) | C1—W4—Ir2—C22 | 154.9 (4) |
Ir1—Ir2—Ir3—C31 | −18.5 (7) | C1—W4—Ir2—C50 | −76.9 (3) |
Ir1—Ir2—Ir3—C32 | 146.5 (2) | C1—W4—Ir2—C70 | 134.5 (3) |
Ir1—Ir2—Ir3—C60 | 56.8 (2) | C1—W4—Ir3—C31 | −48.2 (4) |
Ir1—Ir2—Ir3—C80 | −121.1 (2) | C1—W4—Ir3—C32 | −175.7 (5) |
Ir1—Ir2—W4—Ir3 | 69.71 (1) | C1—W4—Ir3—C60 | 61.9 (4) |
Ir1—Ir2—W4—C1 | −64.9 (3) | C1—W4—Ir3—C80 | −148.8 (4) |
Ir1—Ir2—W4—C2 | −111.4 (5) | C1—W4—C2—C3 | −117.9 (6) |
Ir1—Ir2—W4—C3 | −145.6 (2) | C1—W4—C2—C201 | 123.0 (9) |
Ir1—Ir2—W4—C4 | −122.5 (2) | C1—W4—C3—C2 | 36.4 (4) |
Ir1—Ir2—W4—C5 | −86.3 (2) | C1—W4—C3—C4 | −79.3 (5) |
Ir1—Ir2—W4—C41 | 61.6 (3) | C1—W4—C3—C301 | 156.2 (8) |
Ir1—Ir2—W4—C70 | 160.6 (2) | C1—W4—C4—C3 | 78.6 (5) |
Ir1—Ir2—W4—C80 | 124.0 (2) | C1—W4—C4—C5 | −39.1 (4) |
Ir1—Ir2—C50—C51 | 126.5 (7) | C1—W4—C4—C401 | −156.6 (8) |
Ir1—Ir2—C50—C60 | −65.3 (4) | C1—W4—C5—C4 | 113.4 (6) |
Ir1—Ir2—C70—W4 | −17.6 (2) | C1—W4—C5—C501 | −124.2 (9) |
Ir1—Ir2—C70—C71 | −152.2 (5) | C1—W4—C70—C71 | 15.3 (8) |
Ir1—Ir2—C70—C80 | 47.8 (4) | C1—W4—C70—C80 | 136.2 (5) |
Ir1—Ir3—Ir2—W4 | 68.82 (1) | C1—W4—C80—C70 | −116.0 (6) |
Ir1—Ir3—Ir2—C21 | 14.2 (7) | C1—W4—C80—C81 | 12 (1) |
Ir1—Ir3—Ir2—C22 | −152.4 (2) | C1—C2—W4—C3 | 117.9 (6) |
Ir1—Ir3—Ir2—C50 | −56.5 (2) | C1—C2—W4—C4 | 80.7 (5) |
Ir1—Ir3—Ir2—C70 | 122.8 (2) | C1—C2—W4—C5 | 38.5 (4) |
Ir1—Ir3—W4—Ir2 | −71.91 (1) | C1—C2—W4—C41 | −106.6 (5) |
Ir1—Ir3—W4—C1 | 46.3 (3) | C1—C2—W4—C70 | 139.2 (4) |
Ir1—Ir3—W4—C2 | 108.8 (4) | C1—C2—W4—C80 | −176.3 (4) |
Ir1—Ir3—W4—C3 | 176.9 (4) | C1—C2—C3—C4 | 1.8 (9) |
Ir1—Ir3—W4—C4 | −101.5 (4) | C1—C2—C3—C301 | 168.6 (7) |
Ir1—Ir3—W4—C5 | −21.0 (4) | C1—C5—W4—C2 | −37.4 (4) |
Ir1—Ir3—W4—C41 | 101.6 (2) | C1—C5—W4—C3 | −77.7 (5) |
Ir1—Ir3—W4—C70 | −127.0 (2) | C1—C5—W4—C4 | −113.4 (6) |
Ir1—Ir3—W4—C80 | −164.9 (2) | C1—C5—W4—C41 | 1.3 (6) |
Ir1—Ir3—C60—C50 | 66.0 (4) | C1—C5—W4—C70 | −155.3 (4) |
Ir1—Ir3—C60—C61 | −130.5 (6) | C1—C5—W4—C80 | −133.3 (5) |
Ir1—Ir3—C80—W4 | 13.6 (2) | C1—C5—C4—C3 | 0.3 (8) |
Ir1—Ir3—C80—C70 | −54.8 (4) | C1—C5—C4—C401 | −169.7 (7) |
Ir1—Ir3—C80—C81 | 156.2 (5) | C2—W4—Ir1—C11 | −42.1 (4) |
Ir1—W4—Ir2—Ir3 | −69.71 (1) | C2—W4—Ir1—C12 | 56.5 (3) |
Ir1—W4—Ir2—C21 | 94.5 (2) | C2—W4—Ir1—C50 | 166.5 (3) |
Ir1—W4—Ir2—C22 | −140.2 (3) | C2—W4—Ir1—C60 | −153.8 (3) |
Ir1—W4—Ir2—C50 | −12.0 (2) | C2—W4—Ir2—C21 | −16.9 (6) |
Ir1—W4—Ir2—C70 | −160.6 (2) | C2—W4—Ir2—C22 | 108.3 (6) |
Ir1—W4—Ir3—Ir2 | 71.91 (1) | C2—W4—Ir2—C50 | −123.4 (6) |
Ir1—W4—Ir3—C31 | −94.6 (2) | C2—W4—Ir2—C70 | 87.9 (6) |
Ir1—W4—Ir3—C32 | 138.0 (4) | C2—W4—Ir3—C31 | 14.3 (4) |
Ir1—W4—Ir3—C60 | 15.6 (2) | C2—W4—Ir3—C32 | −113.2 (5) |
Ir1—W4—Ir3—C80 | 164.9 (2) | C2—W4—Ir3—C60 | 124.4 (4) |
Ir1—W4—C1—C2 | 156.6 (4) | C2—W4—Ir3—C80 | −86.3 (4) |
Ir1—W4—C1—C5 | −88.4 (4) | C2—W4—C1—C5 | 114.9 (6) |
Ir1—W4—C1—C101 | 32.6 (8) | C2—W4—C1—C101 | −124 (1) |
Ir1—W4—C2—C1 | −29.6 (5) | C2—W4—C3—C4 | −115.6 (7) |
Ir1—W4—C2—C3 | −147.5 (4) | C2—W4—C3—C301 | 119.8 (9) |
Ir1—W4—C2—C201 | 93.4 (8) | C2—W4—C4—C3 | 37.2 (5) |
Ir1—W4—C3—C2 | 62.6 (6) | C2—W4—C4—C5 | −80.4 (5) |
Ir1—W4—C3—C4 | −53.0 (6) | C2—W4—C4—C401 | 162.0 (8) |
Ir1—W4—C3—C301 | −177.6 (5) | C2—W4—C5—C4 | 76.0 (5) |
Ir1—W4—C4—C3 | 152.1 (4) | C2—W4—C5—C501 | −161.6 (9) |
Ir1—W4—C4—C5 | 34.5 (5) | C2—W4—C70—C71 | −26.8 (7) |
Ir1—W4—C4—C401 | −83.0 (7) | C2—W4—C70—C80 | 94.2 (4) |
Ir1—W4—C5—C1 | 94.6 (4) | C2—W4—C80—C70 | −111.1 (4) |
Ir1—W4—C5—C4 | −152.0 (4) | C2—W4—C80—C81 | 17.0 (7) |
Ir1—W4—C5—C501 | −29.6 (7) | C2—C1—W4—C3 | −35.8 (4) |
Ir1—W4—C70—Ir2 | 17.1 (2) | C2—C1—W4—C4 | −76.3 (5) |
Ir1—W4—C70—C71 | 143.9 (5) | C2—C1—W4—C5 | −114.9 (6) |
Ir1—W4—C70—C80 | −95.2 (3) | C2—C1—W4—C41 | 66.2 (5) |
Ir1—W4—C80—Ir3 | −13.2 (2) | C2—C1—W4—C70 | −72.3 (6) |
Ir1—W4—C80—C70 | 96.0 (3) | C2—C1—W4—C80 | 7.5 (8) |
Ir1—W4—C80—C81 | −135.9 (6) | C2—C1—C5—C4 | 0.7 (8) |
Ir1—C50—Ir2—Ir3 | 64.8 (1) | C2—C1—C5—C501 | −163.7 (7) |
Ir1—C50—Ir2—W4 | 13.0 (2) | C2—C3—W4—C4 | 115.6 (7) |
Ir1—C50—Ir2—C21 | −97.3 (3) | C2—C3—W4—C5 | 78.7 (5) |
Ir1—C50—Ir2—C22 | 159.6 (2) | C2—C3—W4—C41 | −42.1 (5) |
Ir1—C50—Ir2—C70 | 63.6 (5) | C2—C3—W4—C70 | −162.9 (4) |
Ir1—C50—C51—C52 | −36 (1) | C2—C3—W4—C80 | −126.2 (4) |
Ir1—C50—C51—C56 | 145.5 (7) | C2—C3—C4—C5 | −1.3 (8) |
Ir1—C50—C60—Ir3 | −68.5 (3) | C2—C3—C4—C401 | 168.2 (7) |
Ir1—C50—C60—C61 | 128.9 (7) | C3—W4—Ir1—C11 | −80.5 (5) |
Ir1—C60—Ir3—Ir2 | −66.5 (1) | C3—W4—Ir1—C12 | 18.1 (5) |
Ir1—C60—Ir3—W4 | −16.7 (2) | C3—W4—Ir1—C50 | 128.0 (4) |
Ir1—C60—Ir3—C31 | 96.8 (3) | C3—W4—Ir1—C60 | 167.8 (4) |
Ir1—C60—Ir3—C32 | −164.8 (3) | C3—W4—Ir2—C21 | −51.1 (3) |
Ir1—C60—Ir3—C80 | −62.9 (5) | C3—W4—Ir2—C22 | 74.2 (4) |
Ir1—C60—C50—Ir2 | 69.1 (3) | C3—W4—Ir2—C50 | −157.6 (3) |
Ir1—C60—C50—C51 | −123.0 (7) | C3—W4—Ir2—C70 | 53.8 (3) |
Ir1—C60—C61—C62 | 137.8 (7) | C3—W4—Ir3—C31 | 82.3 (4) |
Ir1—C60—C61—C66 | −45 (1) | C3—W4—Ir3—C32 | −45.1 (5) |
Ir2—Ir1—Ir3—W4 | 71.86 (1) | C3—W4—Ir3—C60 | −167.6 (4) |
Ir2—Ir1—Ir3—C31 | 174.6 (2) | C3—W4—Ir3—C80 | −18.2 (4) |
Ir2—Ir1—Ir3—C32 | −64.3 (4) | C3—W4—C1—C5 | 79.1 (5) |
Ir2—Ir1—Ir3—C60 | −89.9 (2) | C3—W4—C1—C101 | −159.9 (9) |
Ir2—Ir1—Ir3—C80 | 59.8 (2) | C3—W4—C2—C201 | −119 (1) |
Ir2—Ir1—W4—Ir3 | −66.34 (1) | C3—W4—C4—C5 | −117.7 (7) |
Ir2—Ir1—W4—C1 | 138.8 (2) | C3—W4—C4—C401 | 124.8 (9) |
Ir2—Ir1—W4—C2 | 155.2 (2) | C3—W4—C5—C4 | 35.7 (4) |
Ir2—Ir1—W4—C3 | 116.7 (4) | C3—W4—C5—C501 | 158.1 (9) |
Ir2—Ir1—W4—C4 | 84.0 (2) | C3—W4—C70—C71 | −15.0 (6) |
Ir2—Ir1—W4—C5 | 103.1 (2) | C3—W4—C70—C80 | 105.9 (4) |
Ir2—Ir1—W4—C41 | −137.1 (2) | C3—W4—C80—C70 | −79.5 (4) |
Ir2—Ir1—W4—C70 | −15.4 (1) | C3—W4—C80—C81 | 48.5 (7) |
Ir2—Ir1—W4—C80 | −54.3 (2) | C3—C2—W4—C4 | −37.2 (4) |
Ir2—Ir1—C50—C51 | −123.7 (7) | C3—C2—W4—C5 | −79.4 (5) |
Ir2—Ir1—C50—C60 | 113.5 (4) | C3—C2—W4—C41 | 135.5 (5) |
Ir2—Ir1—C60—Ir3 | 64.1 (1) | C3—C2—W4—C70 | 21.3 (5) |
Ir2—Ir1—C60—C50 | −48.0 (4) | C3—C2—W4—C80 | 65.8 (5) |
Ir2—Ir1—C60—C61 | −173.1 (7) | C3—C2—C1—C5 | −1.5 (8) |
Ir2—Ir3—Ir1—W4 | −71.86 (1) | C3—C2—C1—C101 | −170.0 (8) |
Ir2—Ir3—Ir1—C11 | −165.4 (3) | C3—C4—W4—C5 | 117.7 (7) |
Ir2—Ir3—Ir1—C12 | 8 (1) | C3—C4—W4—C41 | 28.5 (6) |
Ir2—Ir3—Ir1—C50 | 53.9 (2) | C3—C4—W4—C70 | −99.2 (5) |
Ir2—Ir3—Ir1—C60 | 89.9 (2) | C3—C4—W4—C80 | −73.2 (5) |
Ir2—Ir3—W4—C1 | 118.2 (3) | C3—C4—C5—C501 | 165.2 (7) |
Ir2—Ir3—W4—C2 | −179.3 (4) | C4—W4—Ir1—C11 | −113.2 (4) |
Ir2—Ir3—W4—C3 | −111.2 (4) | C4—W4—Ir1—C12 | −14.7 (4) |
Ir2—Ir3—W4—C4 | −29.6 (4) | C4—W4—Ir1—C50 | 95.3 (3) |
Ir2—Ir3—W4—C5 | 50.9 (4) | C4—W4—Ir1—C60 | 135.1 (3) |
Ir2—Ir3—W4—C41 | 173.5 (2) | C4—W4—Ir2—C21 | −27.9 (3) |
Ir2—Ir3—W4—C70 | −55.1 (2) | C4—W4—Ir2—C22 | 97.3 (4) |
Ir2—Ir3—W4—C80 | −93.0 (2) | C4—W4—Ir2—C50 | −134.5 (3) |
Ir2—Ir3—C60—C50 | −0.5 (4) | C4—W4—Ir2—C70 | 76.9 (3) |
Ir2—Ir3—C60—C61 | 163.0 (6) | C4—W4—Ir3—C31 | 163.9 (5) |
Ir2—Ir3—C80—W4 | 65.8 (1) | C4—W4—Ir3—C32 | 36.5 (5) |
Ir2—Ir3—C80—C70 | −2.6 (4) | C4—W4—Ir3—C60 | −86.0 (5) |
Ir2—Ir3—C80—C81 | −151.7 (5) | C4—W4—Ir3—C80 | 63.4 (5) |
Ir2—W4—Ir1—Ir3 | 66.34 (1) | C4—W4—C1—C5 | 38.7 (4) |
Ir2—W4—Ir1—C11 | 162.8 (3) | C4—W4—C1—C101 | 159.7 (9) |
Ir2—W4—Ir1—C12 | −98.7 (3) | C4—W4—C2—C201 | −156.3 (9) |
Ir2—W4—Ir1—C50 | 11.3 (2) | C4—W4—C3—C301 | −124.6 (9) |
Ir2—W4—Ir1—C60 | 51.0 (2) | C4—W4—C5—C501 | 122.4 (9) |
Ir2—W4—Ir3—C31 | −166.5 (2) | C4—W4—C70—C71 | 18.6 (6) |
Ir2—W4—Ir3—C32 | 66.1 (4) | C4—W4—C70—C80 | 139.5 (4) |
Ir2—W4—Ir3—C60 | −56.4 (2) | C4—W4—C80—C70 | −46.2 (4) |
Ir2—W4—Ir3—C80 | 93.0 (2) | C4—W4—C80—C81 | 81.8 (7) |
Ir2—W4—C1—C2 | −152.5 (3) | C4—C3—W4—C5 | −37.0 (4) |
Ir2—W4—C1—C5 | −37.6 (5) | C4—C3—W4—C41 | −157.7 (5) |
Ir2—W4—C1—C101 | 83.4 (8) | C4—C3—W4—C70 | 81.4 (5) |
Ir2—W4—C2—C1 | 67.7 (7) | C4—C3—W4—C80 | 118.2 (5) |
Ir2—W4—C2—C3 | −50.2 (8) | C4—C3—C2—C201 | −168.2 (7) |
Ir2—W4—C2—C201 | −169.2 (5) | C4—C5—W4—C41 | 114.7 (5) |
Ir2—W4—C3—C2 | 158.8 (4) | C4—C5—W4—C70 | −41.9 (5) |
Ir2—W4—C3—C4 | 43.1 (5) | C4—C5—W4—C80 | −19.9 (7) |
Ir2—W4—C3—C301 | −81.4 (7) | C4—C5—C1—C101 | 169.4 (8) |
Ir2—W4—C4—C3 | −147.5 (4) | C5—W4—Ir1—C11 | −94.1 (3) |
Ir2—W4—C4—C5 | 94.8 (4) | C5—W4—Ir1—C12 | 4.5 (3) |
Ir2—W4—C4—C401 | −22.7 (7) | C5—W4—Ir1—C50 | 114.4 (3) |
Ir2—W4—C5—C1 | 153.0 (4) | C5—W4—Ir1—C60 | 154.2 (3) |
Ir2—W4—C5—C4 | −93.6 (4) | C5—W4—Ir2—C21 | 8.3 (3) |
Ir2—W4—C5—C501 | 28.8 (8) | C5—W4—Ir2—C22 | 133.5 (4) |
Ir2—W4—C41—O41 | −177.6 (1) | C5—W4—Ir2—C50 | −98.3 (3) |
Ir2—W4—C70—C71 | 126.8 (6) | C5—W4—Ir2—C70 | 113.1 (3) |
Ir2—W4—C70—C80 | −112.3 (4) | C5—W4—Ir3—C31 | −115.5 (4) |
Ir2—W4—C80—Ir3 | −60.4 (1) | C5—W4—Ir3—C32 | 117.0 (5) |
Ir2—W4—C80—C70 | 48.8 (3) | C5—W4—Ir3—C60 | −5.4 (4) |
Ir2—W4—C80—C81 | 176.8 (7) | C5—W4—Ir3—C80 | 143.9 (4) |
Ir2—C50—Ir1—Ir3 | −63.7 (1) | C5—W4—C1—C101 | 121 (1) |
Ir2—C50—Ir1—W4 | −13.1 (2) | C5—W4—C2—C201 | 161.5 (9) |
Ir2—C50—Ir1—C11 | −144.6 (4) | C5—W4—C3—C301 | −161.5 (8) |
Ir2—C50—Ir1—C12 | 106.3 (3) | C5—W4—C4—C401 | −117.5 (8) |
Ir2—C50—Ir1—C60 | −113.5 (4) | C5—W4—C70—C71 | 41.3 (6) |
Ir2—C50—C51—C52 | −136.2 (7) | C5—W4—C70—C80 | 162.2 (3) |
Ir2—C50—C51—C56 | 45 (1) | C5—W4—C80—C70 | −33.6 (6) |
Ir2—C50—C60—Ir3 | 0.6 (5) | C5—W4—C80—C81 | 94.5 (8) |
Ir2—C50—C60—C61 | −162.0 (6) | C5—C1—W4—C41 | −178.8 (5) |
Ir2—C70—W4—Ir3 | 61.5 (1) | C5—C1—W4—C70 | 42.6 (7) |
Ir2—C70—W4—C1 | −111.5 (4) | C5—C1—W4—C80 | 122.4 (6) |
Ir2—C70—W4—C2 | −153.5 (2) | C5—C1—C2—C201 | 167.8 (7) |
Ir2—C70—W4—C3 | −141.8 (2) | C5—C4—W4—C41 | −89.2 (5) |
Ir2—C70—W4—C4 | −108.1 (2) | C5—C4—W4—C70 | 143.1 (4) |
Ir2—C70—W4—C5 | −85.5 (2) | C5—C4—W4—C80 | 169.1 (4) |
Ir2—C70—W4—C41 | 118.0 (3) | C5—C4—C3—C301 | −167.5 (7) |
Ir2—C70—W4—C80 | 112.3 (4) | C11—Ir1—Ir2—C21 | −141.8 (6) |
Ir2—C70—C71—C72 | −177.8 (5) | C11—Ir1—Ir2—C22 | 87.7 (7) |
Ir2—C70—C71—C76 | 3.4 (9) | C11—Ir1—Ir2—C50 | 125.2 (7) |
Ir2—C70—C80—Ir3 | 3.2 (4) | C11—Ir1—Ir2—C70 | −25.0 (6) |
Ir2—C70—C80—W4 | −71.2 (3) | C11—Ir1—Ir3—C31 | 9.2 (4) |
Ir2—C70—C80—C81 | 148.2 (5) | C11—Ir1—Ir3—C32 | 130.3 (5) |
Ir3—Ir1—Ir2—W4 | −74.51 (1) | C11—Ir1—Ir3—C60 | 104.7 (4) |
Ir3—Ir1—Ir2—C21 | −175.4 (2) | C11—Ir1—Ir3—C80 | −105.6 (3) |
Ir3—Ir1—Ir2—C22 | 54.1 (4) | C11—Ir1—W4—C41 | 25.7 (4) |
Ir3—Ir1—Ir2—C50 | 91.6 (2) | C11—Ir1—W4—C70 | 147.4 (3) |
Ir3—Ir1—Ir2—C70 | −58.7 (2) | C11—Ir1—W4—C80 | 108.4 (3) |
Ir3—Ir1—W4—C1 | −154.8 (2) | C11—Ir1—C50—C51 | 91.7 (8) |
Ir3—Ir1—W4—C2 | −138.5 (2) | C11—Ir1—C50—C60 | −31.0 (7) |
Ir3—Ir1—W4—C3 | −176.9 (4) | C11—Ir1—C60—C50 | 160.0 (4) |
Ir3—Ir1—W4—C4 | 150.3 (2) | C11—Ir1—C60—C61 | 34.9 (7) |
Ir3—Ir1—W4—C5 | 169.5 (2) | C12—Ir1—Ir2—C21 | 6.7 (3) |
Ir3—Ir1—W4—C41 | −70.8 (2) | C12—Ir1—Ir2—C22 | −123.8 (5) |
Ir3—Ir1—W4—C70 | 51.0 (1) | C12—Ir1—Ir2—C50 | −86.4 (4) |
Ir3—Ir1—W4—C80 | 12.0 (2) | C12—Ir1—Ir2—C70 | 123.4 (3) |
Ir3—Ir1—C50—C51 | 172.6 (6) | C12—Ir1—Ir3—C31 | −177 (1) |
Ir3—Ir1—C50—C60 | 49.8 (4) | C12—Ir1—Ir3—C32 | −56 (1) |
Ir3—Ir1—C60—C50 | −112.1 (4) | C12—Ir1—Ir3—C60 | −82 (1) |
Ir3—Ir1—C60—C61 | 122.8 (7) | C12—Ir1—Ir3—C80 | 68 (1) |
Ir3—Ir2—Ir1—W4 | 74.51 (1) | C12—Ir1—W4—C41 | 124.2 (3) |
Ir3—Ir2—Ir1—C11 | 33.6 (6) | C12—Ir1—W4—C70 | −114.0 (3) |
Ir3—Ir2—Ir1—C12 | −177.9 (3) | C12—Ir1—W4—C80 | −153.0 (3) |
Ir3—Ir2—Ir1—C50 | −91.6 (2) | C12—Ir1—C50—C51 | −17.5 (7) |
Ir3—Ir2—Ir1—C60 | −55.8 (2) | C12—Ir1—C50—C60 | −140.2 (4) |
Ir3—Ir2—W4—C1 | −134.6 (3) | C12—Ir1—C60—C50 | 50.9 (5) |
Ir3—Ir2—W4—C2 | 178.8 (5) | C12—Ir1—C60—C61 | −74.2 (7) |
Ir3—Ir2—W4—C3 | 144.7 (2) | C21—Ir2—Ir1—C50 | 93.0 (3) |
Ir3—Ir2—W4—C4 | 167.8 (2) | C21—Ir2—Ir1—C60 | 128.8 (3) |
Ir3—Ir2—W4—C5 | −156.0 (2) | C21—Ir2—Ir3—C31 | −4 (1) |
Ir3—Ir2—W4—C41 | −8.1 (3) | C21—Ir2—Ir3—C32 | 160.7 (7) |
Ir3—Ir2—W4—C70 | 90.9 (2) | C21—Ir2—Ir3—C60 | 71.0 (7) |
Ir3—Ir2—W4—C80 | 54.3 (2) | C21—Ir2—Ir3—C80 | −106.9 (7) |
Ir3—Ir2—C50—C51 | −168.8 (6) | C21—Ir2—W4—C41 | 156.1 (4) |
Ir3—Ir2—C50—C60 | −0.5 (4) | C21—Ir2—W4—C70 | −104.8 (3) |
Ir3—Ir2—C70—W4 | −68.1 (1) | C21—Ir2—W4—C80 | −141.4 (3) |
Ir3—Ir2—C70—C71 | 157.3 (5) | C21—Ir2—C50—C51 | 29.1 (6) |
Ir3—Ir2—C70—C80 | −2.7 (4) | C21—Ir2—C50—C60 | −162.6 (5) |
Ir3—W4—Ir1—C11 | 96.4 (3) | C21—Ir2—C70—C71 | −41.7 (6) |
Ir3—W4—Ir1—C12 | −165.0 (3) | C21—Ir2—C70—C80 | 158.3 (4) |
Ir3—W4—Ir1—C50 | −55.0 (2) | C22—Ir2—Ir1—C50 | −37.5 (5) |
Ir3—W4—Ir1—C60 | −15.3 (2) | C22—Ir2—Ir1—C60 | −1.7 (4) |
Ir3—W4—Ir2—C21 | 164.3 (2) | C22—Ir2—Ir3—C31 | −170.9 (8) |
Ir3—W4—Ir2—C22 | −70.5 (3) | C22—Ir2—Ir3—C32 | −5.8 (3) |
Ir3—W4—Ir2—C50 | 57.7 (2) | C22—Ir2—Ir3—C60 | −95.5 (3) |
Ir3—W4—Ir2—C70 | −90.9 (2) | C22—Ir2—Ir3—C80 | 86.5 (3) |
Ir3—W4—C1—C2 | 118.9 (4) | C22—Ir2—W4—C41 | −78.7 (4) |
Ir3—W4—C1—C5 | −126.1 (4) | C22—Ir2—W4—C70 | 20.4 (4) |
Ir3—W4—C1—C101 | −5 (1) | C22—Ir2—W4—C80 | −16.2 (4) |
Ir3—W4—C2—C1 | −114.0 (4) | C22—Ir2—C50—C51 | −73.9 (6) |
Ir3—W4—C2—C3 | 128.1 (4) | C22—Ir2—C50—C60 | 94.3 (5) |
Ir3—W4—C2—C201 | 9 (1) | C22—Ir2—C70—C71 | 59.4 (5) |
Ir3—W4—C3—C2 | −111.9 (5) | C22—Ir2—C70—C80 | −100.5 (5) |
Ir3—W4—C3—C4 | 132.4 (4) | C31—Ir3—Ir1—C50 | −131.5 (3) |
Ir3—W4—C3—C301 | 8 (1) | C31—Ir3—Ir1—C60 | −95.5 (3) |
Ir3—W4—C4—C3 | −123.0 (5) | C31—Ir3—Ir2—C50 | −75.0 (8) |
Ir3—W4—C4—C5 | 119.4 (5) | C31—Ir3—Ir2—C70 | 104.4 (8) |
Ir3—W4—C4—C401 | 2 (1) | C31—Ir3—W4—C41 | 7.0 (3) |
Ir3—W4—C5—C1 | 112.1 (5) | C31—Ir3—W4—C70 | 138.4 (3) |
Ir3—W4—C5—C4 | −134.5 (4) | C31—Ir3—W4—C80 | 100.5 (3) |
Ir3—W4—C5—C501 | −12 (1) | C31—Ir3—C60—C50 | 162.8 (5) |
Ir3—W4—C70—C71 | −171.7 (6) | C31—Ir3—C60—C61 | −33.7 (6) |
Ir3—W4—C70—C80 | −50.8 (3) | C31—Ir3—C80—C70 | −165.2 (4) |
Ir3—W4—C80—C70 | 109.2 (4) | C31—Ir3—C80—C81 | 45.7 (6) |
Ir3—W4—C80—C81 | −122.7 (7) | C32—Ir3—Ir1—C50 | −10.5 (4) |
Ir3—C60—Ir1—W4 | 17.6 (2) | C32—Ir3—Ir1—C60 | 25.6 (4) |
Ir3—C60—Ir1—C11 | −87.9 (3) | C32—Ir3—Ir2—C50 | 90.0 (3) |
Ir3—C60—Ir1—C12 | 163.0 (3) | C32—Ir3—Ir2—C70 | −90.6 (3) |
Ir3—C60—Ir1—C50 | 112.1 (4) | C32—Ir3—W4—C41 | −120.4 (4) |
Ir3—C60—C50—C51 | 168.5 (6) | C32—Ir3—W4—C70 | 11.0 (4) |
Ir3—C60—C61—C62 | −121.3 (7) | C32—Ir3—W4—C80 | −26.9 (4) |
Ir3—C60—C61—C66 | 56.1 (9) | C32—Ir3—C60—C50 | −98.8 (5) |
Ir3—C80—W4—C1 | 134.8 (5) | C32—Ir3—C60—C61 | 64.6 (6) |
Ir3—C80—W4—C2 | 139.7 (2) | C32—Ir3—C80—C70 | 95.0 (5) |
Ir3—C80—W4—C3 | 171.2 (2) | C32—Ir3—C80—C81 | −54.0 (5) |
Ir3—C80—W4—C4 | −155.4 (2) | C41—W4—Ir1—C50 | −125.8 (3) |
Ir3—C80—W4—C5 | −142.8 (4) | C41—W4—Ir1—C60 | −86.0 (3) |
Ir3—C80—W4—C41 | 75.8 (3) | C41—W4—Ir2—C50 | 49.6 (4) |
Ir3—C80—W4—C70 | −109.2 (4) | C41—W4—Ir2—C70 | −99.1 (4) |
Ir3—C80—C70—W4 | 74.4 (3) | C41—W4—Ir3—C60 | 117.1 (3) |
Ir3—C80—C70—C71 | −156.4 (5) | C41—W4—Ir3—C80 | −93.5 (3) |
Ir3—C80—C81—C82 | 83.0 (7) | C41—W4—C1—C101 | −57.8 (8) |
Ir3—C80—C81—C86 | −96.2 (7) | C41—W4—C2—C201 | 16.5 (7) |
W4—Ir1—Ir2—C21 | −100.9 (2) | C41—W4—C3—C301 | 77.7 (8) |
W4—Ir1—Ir2—C22 | 128.6 (4) | C41—W4—C4—C401 | 153.3 (6) |
W4—Ir1—Ir2—C50 | 166.1 (2) | C41—W4—C5—C501 | −122.9 (8) |
W4—Ir1—Ir2—C70 | 15.8 (2) | C41—W4—C70—C71 | −115.2 (6) |
W4—Ir1—Ir3—C31 | 102.7 (2) | C41—W4—C70—C80 | 5.7 (5) |
W4—Ir1—Ir3—C32 | −136.2 (4) | C41—W4—C80—C70 | −175.0 (4) |
W4—Ir1—Ir3—C60 | −161.8 (2) | C41—W4—C80—C81 | −47.0 (7) |
W4—Ir1—Ir3—C80 | −12.0 (2) | C50—Ir1—Ir2—C70 | −150.2 (3) |
W4—Ir1—C50—C51 | −136.8 (6) | C50—Ir1—Ir3—C60 | −36.1 (3) |
W4—Ir1—C50—C60 | 100.5 (4) | C50—Ir1—Ir3—C80 | 113.7 (3) |
W4—Ir1—C60—C50 | −94.5 (4) | C50—Ir1—W4—C70 | −4.1 (2) |
W4—Ir1—C60—C61 | 140.3 (6) | C50—Ir1—W4—C80 | −43.0 (3) |
W4—Ir2—Ir1—C11 | −40.9 (6) | C50—Ir1—C60—C61 | −125.2 (9) |
W4—Ir2—Ir1—C12 | 107.6 (3) | C50—Ir2—Ir1—C60 | 35.8 (3) |
W4—Ir2—Ir1—C50 | −166.1 (2) | C50—Ir2—Ir3—C60 | 0.3 (3) |
W4—Ir2—Ir1—C60 | −130.3 (2) | C50—Ir2—Ir3—C80 | −177.6 (2) |
W4—Ir2—Ir3—C31 | 50.3 (7) | C50—Ir2—W4—C70 | 148.6 (3) |
W4—Ir2—Ir3—C32 | −144.6 (2) | C50—Ir2—W4—C80 | 112.0 (3) |
W4—Ir2—Ir3—C60 | 125.7 (2) | C50—Ir2—C70—C71 | 158.5 (5) |
W4—Ir2—Ir3—C80 | −52.3 (2) | C50—Ir2—C70—C80 | −1.5 (7) |
W4—Ir2—C50—C51 | 139.4 (5) | C50—C51—C52—C53 | −179.1 (8) |
W4—Ir2—C50—C60 | −52.3 (5) | C50—C51—C56—C55 | 177.8 (9) |
W4—Ir2—C70—C71 | −134.6 (6) | C50—C60—Ir3—C80 | 3.1 (7) |
W4—Ir2—C70—C80 | 65.5 (4) | C50—C60—C61—C62 | 38 (1) |
W4—Ir3—Ir1—C11 | −93.5 (3) | C50—C60—C61—C66 | −144.2 (7) |
W4—Ir3—Ir1—C12 | 80 (1) | C51—C50—Ir1—C60 | 122.7 (8) |
W4—Ir3—Ir1—C50 | 125.7 (2) | C51—C50—Ir2—C70 | −170.0 (5) |
W4—Ir3—Ir1—C60 | 161.8 (2) | C51—C50—C60—C61 | 6 (1) |
W4—Ir3—Ir2—C21 | −54.6 (7) | C51—C52—C53—C54 | 1 (2) |
W4—Ir3—Ir2—C22 | 138.8 (2) | C51—C56—C55—C54 | 2 (2) |
W4—Ir3—Ir2—C50 | −125.3 (2) | C52—C51—C50—C60 | 58 (1) |
W4—Ir3—Ir2—C70 | 54.0 (2) | C52—C51—C56—C55 | −1 (1) |
W4—Ir3—C60—C50 | 49.3 (5) | C52—C53—C54—C55 | 0 (2) |
W4—Ir3—C60—C61 | −147.3 (5) | C53—C52—C51—C56 | 0 (1) |
W4—Ir3—C80—C70 | −68.5 (4) | C53—C54—C55—C56 | −2 (2) |
W4—Ir3—C80—C81 | 142.5 (6) | C56—C51—C50—C60 | −120.7 (9) |
W4—C1—C2—C3 | 63.8 (5) | C60—Ir1—Ir2—C70 | −114.5 (2) |
W4—C1—C2—C201 | −126.9 (8) | C60—Ir1—Ir3—C80 | 149.8 (3) |
W4—C1—C5—C4 | −65.9 (5) | C60—Ir1—W4—C70 | 35.7 (2) |
W4—C1—C5—C501 | 129.7 (7) | C60—Ir1—W4—C80 | −3.3 (2) |
W4—C2—C1—C5 | −65.3 (5) | C60—Ir3—Ir2—C70 | 179.7 (2) |
W4—C2—C1—C101 | 126.2 (8) | C60—Ir3—W4—C70 | −111.5 (2) |
W4—C2—C3—C4 | 64.0 (5) | C60—Ir3—W4—C80 | −149.3 (3) |
W4—C2—C3—C301 | −129.1 (7) | C60—Ir3—C80—C70 | −6.3 (7) |
W4—C3—C2—C1 | −62.3 (5) | C60—Ir3—C80—C81 | −155.3 (5) |
W4—C3—C2—C201 | 127.8 (7) | C60—C50—Ir2—C70 | −1.7 (8) |
W4—C3—C4—C5 | 63.1 (5) | C60—C61—C62—C63 | 176.7 (8) |
W4—C3—C4—C401 | −127.4 (8) | C60—C61—C66—C65 | −177.6 (7) |
W4—C4—C3—C2 | −64.4 (5) | C61—C60—Ir3—C80 | 166.6 (5) |
W4—C4—C3—C301 | 129.4 (8) | C61—C62—C63—C64 | 2 (2) |
W4—C4—C5—C1 | 65.0 (4) | C61—C66—C65—C64 | 0 (1) |
W4—C4—C5—C501 | −130.1 (7) | C62—C61—C66—C65 | 0 (1) |
W4—C5—C1—C2 | 66.6 (5) | C62—C63—C64—C65 | −2 (2) |
W4—C5—C1—C101 | −124.7 (8) | C63—C62—C61—C66 | −1 (1) |
W4—C5—C4—C3 | −64.6 (5) | C63—C64—C65—C66 | 0 (2) |
W4—C5—C4—C401 | 125.3 (7) | C70—Ir2—Ir3—C80 | 1.7 (2) |
W4—C70—Ir2—C21 | 92.8 (3) | C70—Ir2—W4—C80 | −36.6 (2) |
W4—C70—Ir2—C22 | −166.0 (2) | C70—W4—Ir3—C80 | 37.9 (3) |
W4—C70—Ir2—C50 | −66.9 (5) | C70—W4—C1—C101 | 163.6 (7) |
W4—C70—C71—C72 | 74.2 (8) | C70—W4—C2—C201 | −97.8 (8) |
W4—C70—C71—C76 | −104.5 (7) | C70—W4—C3—C301 | −43.1 (7) |
W4—C70—C80—C81 | −140.6 (6) | C70—W4—C4—C401 | 25.6 (7) |
W4—C80—Ir3—C31 | −96.8 (3) | C70—W4—C5—C501 | 80.5 (8) |
W4—C80—Ir3—C32 | 163.5 (3) | C70—W4—C80—C81 | 128.1 (8) |
W4—C80—Ir3—C60 | 62.2 (5) | C70—C71—C72—C73 | −175.1 (6) |
W4—C80—C70—C71 | 129.2 (6) | C70—C71—C76—C75 | 175.8 (6) |
W4—C80—C81—C82 | −166.9 (5) | C70—C80—C81—C82 | −58.1 (9) |
W4—C80—C81—C86 | 14 (1) | C70—C80—C81—C86 | 122.7 (8) |
O11—C11—Ir1—C12 | −174.4 (1) | C71—C70—W4—C80 | −120.9 (7) |
O11—C11—Ir1—C50 | 75.1 (1) | C71—C70—C80—C81 | −11 (1) |
O11—C11—Ir1—C60 | 56.1 (1) | C71—C72—C73—C74 | −1 (1) |
O12—C12—Ir1—C11 | −82.4 (1) | C71—C76—C75—C74 | −1 (1) |
O12—C12—Ir1—C50 | 60.7 (1) | C72—C71—C70—C80 | −22 (1) |
O12—C12—Ir1—C60 | 32.5 (1) | C72—C71—C76—C75 | −3 (1) |
O21—C21—Ir2—C22 | 82 (8) | C72—C73—C74—C75 | −3 (1) |
O21—C21—Ir2—C50 | −17 (8) | C73—C72—C71—C76 | 4 (1) |
O21—C21—Ir2—C70 | 173 (8) | C73—C74—C75—C76 | 4 (1) |
O22—C22—Ir2—C21 | 142 (8) | C76—C71—C70—C80 | 159.6 (6) |
O22—C22—Ir2—C50 | −117 (8) | C80—W4—C1—C101 | −116.6 (8) |
O22—C22—Ir2—C70 | 31 (8) | C80—W4—C2—C201 | −53.3 (8) |
O31—C31—Ir3—C32 | −121 (10) | C80—W4—C3—C301 | −6.4 (8) |
O31—C31—Ir3—C60 | −27 (10) | C80—W4—C4—C401 | 51.6 (7) |
O31—C31—Ir3—C80 | 142 (10) | C80—W4—C5—C501 | 102.4 (8) |
O32—C32—Ir3—C31 | 138 (9) | C80—C81—C82—C83 | −179.2 (7) |
O32—C32—Ir3—C60 | 36 (9) | C80—C81—C86—C85 | 179.8 (7) |
O32—C32—Ir3—C80 | −112 (9) | C81—C82—C83—C84 | 0 (1) |
O41—C41—W4—C1 | −33.4 (1) | C81—C86—C85—C84 | −2 (1) |
O41—C41—W4—C2 | −0.3 (1) | C82—C81—C86—C85 | 1 (1) |
O41—C41—W4—C3 | 23.0 (1) | C82—C83—C84—C85 | −1 (2) |
O41—C41—W4—C4 | 7.4 (1) | C83—C82—C81—C86 | 0 (1) |
O41—C41—W4—C5 | −34.2 (1) | C83—C84—C85—C86 | 2 (2) |
O41—C41—W4—C70 | 121.5 (1) | C101—C1—C2—C201 | −1 (1) |
O41—C41—W4—C80 | 125.0 (1) | C101—C1—C5—C501 | 5 (1) |
C1—W4—Ir1—C11 | −58.4 (3) | C201—C2—C3—C301 | −1 (1) |
C1—W4—Ir1—C12 | 40.2 (3) | C301—C3—C4—C401 | 2 (1) |
C1—W4—Ir1—C50 | 150.1 (3) | C401—C4—C5—C501 | −5 (1) |
C1—W4—Ir1—C60 | −170.1 (3) | C401—C4—C5—C501 | −5 (1) |
C1—W4—Ir2—C21 | 29.7 (4) | C401—C4—C5—C501 | −5 (1) |