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The title compound, [Mo4Ir45-C6H7)4(C20H28S)(CO)16]·0.5CH2Cl2, is a mixed-metal dicluster compound in which the cluster modules are linked by a bridging 2,5-bis­(oct-1-ynyl)­thio­phene ligand. The cluster units each have butterfly metal core geometries, with Mo atoms at the wing-tip sites and Ir atoms at the hinge positions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680500214X/ob6455sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680500214X/ob6455Isup2.hkl
Contains datablock I

CCDC reference: 269830

Key indicators

  • Single-crystal X-ray study
  • T = 473 K
  • Mean [sigma](C-C) = 0.011 Å
  • Disorder in solvent or counterion
  • R factor = 0.026
  • wR factor = 0.034
  • Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.00 Ratio
Author Response: ... C228 [Ueq 0.025] is rigidly bonded to heavy atoms Ir22, Mo21 and Mo22 so is expected to be small; whereas C121 [Ueq 0.125] is at the end of a long aliphatic chain and would be expected to be larger. It was thought that Ueq was not sufficiently large to warrant modelling this C over two sites.

Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.17 Ratio
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 ............ 0.25 Ratio PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C216 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C217 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C122 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C01 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 50.00 Perc. PLAT320_ALERT_2_C Check Hybridisation of C105 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C106 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C107 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C108 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C205 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C206 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C207 in Main Residue . ? PLAT320_ALERT_2_C Check Hybridisation of C208 in Main Residue . ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT432_ALERT_2_C Short Inter X...Y Contact O106 .. C118 .. 3.01 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 41
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 20 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Nonius, 1997); cell refinement: SCALEPACK (Otwinowski & Minor 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: DIRDIF92 PATTY (Beurskens et al., 1992); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation, 1997); molecular graphics: program (reference?); software used to prepare material for publication: TEXSAN.

(I) top
Crystal data top
[Mo4Ir4(C6H7)4(C20H28S)2(CO)16]·0.5CH2Cl2F(000) = 4228.00
Mr = 2260.26Dx = 2.300 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.7107 Å
Hall symbol: -P 2ybcCell parameters from 138312 reflections
a = 9.9141 (2) Åθ = 4.1–25.0°
b = 43.1674 (8) ŵ = 9.02 mm1
c = 15.7682 (3) ÅT = 473 K
β = 104.6701 (5)°Block, red-brown
V = 6528.3 (2) Å30.18 × 0.11 × 0.04 mm
Z = 4
Data collection top
Nonius KappaCCD
diffractometer
11612 independent reflections
Radiation source: fine-focus sealed tube9300 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.057
φ and ω scansθmax = 25.0°, θmin = 4.1°
Absorption correction: integration
[Gaussian (Coppens, 1970) implemented in maXus (Mackay et al., 1999)]
h = 1111
Tmin = 0.315, Tmax = 0.702k = 5051
73643 measured reflectionsl = 1818
Refinement top
Refinement on F3 restraints
Least-squares matrix: full0 constraints
R[F2 > 2σ(F2)] = 0.026H-atom parameters constrained
wR(F2) = 0.034Weighting scheme based on measured s.u.'s w = 1/[σ2(Fo) + 0.0001|Fo|2]
S = 0.97(Δ/σ)max = 0.013
9300 reflectionsΔρmax = 1.63 e Å3
793 parametersΔρmin = 1.07 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ir110.36581 (3)0.192171 (7)0.14025 (2)0.03083 (8)
Ir120.52594 (3)0.207524 (6)0.01936 (2)0.02808 (8)
Ir210.16583 (3)0.073514 (6)0.43368 (2)0.02867 (8)
Ir220.07724 (3)0.081953 (6)0.25896 (2)0.02622 (7)
Mo110.51536 (6)0.14479 (1)0.03588 (4)0.0296 (2)
Mo120.23688 (6)0.21635 (1)0.01414 (4)0.0287 (2)
Mo210.35570 (6)0.06355 (1)0.32921 (4)0.0308 (2)
Mo220.07957 (6)0.13292 (1)0.37072 (4)0.0265 (2)
Cl10.766 (1)0.0314 (1)0.0081 (4)0.136 (3)0.500
Cl20.764 (1)0.0305 (2)0.0416 (8)0.208 (5)0.500
S10.2648 (2)0.13184 (4)0.1416 (1)0.0353 (5)
O1010.2034 (7)0.1692 (2)0.3197 (3)0.069 (2)
O1020.4863 (7)0.2407 (2)0.2392 (4)0.076 (2)
O1030.7095 (5)0.2229 (1)0.1999 (3)0.049 (2)
O1040.6931 (6)0.2540 (1)0.0577 (4)0.054 (2)
O1050.6092 (6)0.1603 (1)0.2028 (3)0.060 (2)
O1060.8047 (5)0.1680 (1)0.0680 (4)0.050 (2)
O1070.1400 (6)0.2438 (1)0.2012 (3)0.057 (2)
O1080.4195 (5)0.2751 (1)0.0386 (4)0.064 (2)
O2010.2641 (6)0.0674 (2)0.6318 (3)0.065 (2)
O2020.0574 (6)0.0251 (1)0.4350 (4)0.059 (2)
O2030.0090 (5)0.0912 (1)0.0612 (3)0.061 (2)
O2040.1590 (6)0.0351 (1)0.2361 (4)0.064 (2)
O2050.3381 (6)0.0121 (1)0.4630 (4)0.056 (2)
O2060.1766 (6)0.0203 (1)0.1885 (4)0.065 (2)
O2070.0749 (6)0.1047 (1)0.5002 (3)0.055 (2)
O2080.1992 (5)0.1196 (1)0.2370 (3)0.053 (2)
C010.872 (1)0.0016 (3)0.018 (1)0.120 (9)0.500
C1010.2584 (8)0.1768 (2)0.2500 (5)0.041 (2)
C1020.4451 (8)0.2224 (2)0.2009 (5)0.047 (2)
C1030.6330 (7)0.2164 (2)0.1346 (4)0.033 (2)
C1040.6327 (8)0.2360 (2)0.0287 (4)0.036 (2)
C1050.5534 (8)0.1600 (2)0.1465 (5)0.042 (2)
C1060.6879 (7)0.1658 (2)0.0300 (5)0.035 (2)
C1070.1971 (8)0.2300 (2)0.1381 (5)0.041 (2)
C1080.3785 (7)0.2498 (2)0.0195 (5)0.039 (2)
C1090.4370 (8)0.0936 (2)0.0606 (6)0.054 (2)
C1100.496 (1)0.0973 (2)0.0288 (6)0.056 (2)
C1110.6364 (9)0.1040 (2)0.0413 (5)0.051 (2)
C1120.6648 (8)0.1045 (2)0.0428 (5)0.043 (2)
C1130.5392 (9)0.0973 (2)0.1051 (5)0.048 (2)
C1140.523 (1)0.0909 (2)0.2004 (6)0.098 (4)
C1150.0381 (7)0.2465 (2)0.0278 (5)0.040 (2)
C1160.1227 (8)0.2523 (2)0.0565 (5)0.045 (2)
C1170.1397 (7)0.2243 (2)0.1038 (5)0.038 (2)
C1180.0627 (7)0.2012 (2)0.0498 (5)0.036 (2)
C1190.0032 (7)0.2147 (2)0.0335 (5)0.039 (2)
C1200.1032 (8)0.1997 (2)0.1099 (5)0.055 (3)
C1210.116 (2)0.0408 (3)0.3417 (8)0.125 (5)
C1220.104 (1)0.0587 (2)0.2590 (7)0.073 (3)
C1230.0102 (9)0.0865 (2)0.2505 (5)0.053 (2)
C1240.0168 (8)0.1035 (2)0.1636 (5)0.044 (2)
C1250.1196 (7)0.1306 (2)0.1558 (4)0.035 (2)
C1260.1759 (7)0.1416 (2)0.0613 (4)0.031 (2)
C1270.2945 (7)0.1655 (2)0.0479 (4)0.029 (1)
C1280.3795 (7)0.1739 (2)0.0408 (4)0.027 (2)
C1290.3695 (6)0.1628 (2)0.1261 (4)0.026 (2)
C1300.4312 (7)0.1745 (2)0.2065 (4)0.037 (2)
C2010.2334 (7)0.0710 (2)0.5579 (5)0.039 (2)
C2020.0272 (8)0.0430 (2)0.4355 (5)0.036 (2)
C2030.0291 (7)0.0891 (2)0.1357 (5)0.036 (2)
C2040.0723 (8)0.0527 (2)0.2442 (5)0.041 (2)
C2050.3213 (8)0.0342 (2)0.4189 (5)0.039 (2)
C2060.2177 (8)0.0400 (2)0.2377 (5)0.044 (2)
C2070.0001 (7)0.1088 (2)0.4542 (5)0.035 (2)
C2080.0833 (7)0.1183 (2)0.2787 (4)0.034 (2)
C2090.5749 (8)0.0407 (2)0.3802 (5)0.050 (2)
C2100.5960 (8)0.0721 (2)0.3674 (6)0.053 (2)
C2110.5461 (8)0.0784 (2)0.2784 (6)0.050 (2)
C2120.4919 (8)0.0509 (2)0.2347 (5)0.050 (2)
C2130.5109 (8)0.0268 (2)0.2987 (6)0.050 (2)
C2140.487 (1)0.0060 (2)0.2840 (8)0.085 (4)
C2150.0153 (9)0.1799 (2)0.3163 (5)0.049 (2)
C2160.129 (1)0.1845 (2)0.3511 (7)0.063 (2)
C2170.1605 (9)0.1795 (2)0.4402 (7)0.063 (3)
C2180.0350 (8)0.1715 (2)0.4626 (5)0.043 (2)
C2190.0749 (8)0.1720 (2)0.3847 (5)0.036 (2)
C2200.2247 (8)0.1685 (2)0.3810 (6)0.054 (2)
C2210.818 (1)0.2029 (2)0.6421 (6)0.075 (3)
C2220.7942 (8)0.1683 (2)0.6434 (5)0.049 (2)
C2230.6476 (7)0.1582 (2)0.5958 (4)0.041 (2)
C2240.6337 (7)0.1240 (2)0.5897 (4)0.041 (2)
C2250.4865 (7)0.1114 (2)0.5484 (4)0.040 (2)
C2260.4248 (7)0.1247 (2)0.4581 (4)0.030 (2)
C2270.2975 (6)0.1078 (2)0.4004 (4)0.027 (1)
C2280.2498 (6)0.1125 (1)0.3066 (4)0.025 (1)
C2290.3098 (6)0.1348 (2)0.2548 (4)0.027 (2)
C2300.3992 (7)0.1587 (2)0.2776 (4)0.039 (2)
H01a0.90670.00760.03070.145*0.500
H01b0.94760.00220.06710.145*0.500
H1090.34170.08920.08680.064*
H1100.44770.09560.07370.067*
H1110.70180.10760.09590.061*
H1120.75200.10890.05480.052*
H114a0.53480.06940.20870.118*
H114b0.59150.10220.22020.118*
H114c0.43280.09710.23270.118*
H1150.01230.26130.07360.048*
H1160.16180.27170.07790.054*
H1170.19400.22140.16230.046*
H1180.05540.18020.06580.043*
H120c0.10070.21020.16230.066*
H120b0.07730.17860.11390.066*
H120a0.19480.20060.10170.066*
H121b0.02670.03300.34310.150*
H121a0.17850.02400.34390.150*
H121c0.14980.05400.39070.150*
H122a0.19420.06550.25740.088*
H122b0.06770.04530.21070.088*
H123b0.07700.07980.25850.063*
H123a0.05180.10070.29550.063*
H124a0.06940.11130.15680.053*
H124b0.05380.08910.11800.053*
H125a0.07300.14740.18980.042*
H125b0.19570.12420.17790.042*
H126b0.20970.12400.02600.037*
H126a0.10110.15070.04240.037*
H1300.49150.19190.21440.044*
H2090.59950.03020.43500.060*
H2100.63730.08660.41170.064*
H2110.54810.09810.25160.060*
H2120.45020.04880.17370.061*
H214b0.41290.00910.23290.102*
H214c0.46190.01490.33310.102*
H214a0.56900.01560.27640.102*
H2150.06390.18190.25630.059*
H2160.19330.19020.31840.076*
H2170.25030.18110.47960.076*
H2180.02610.16660.51970.051*
H220b0.23520.16390.43790.065*
H220c0.26290.15210.34210.065*
H220a0.27230.18720.36060.065*
H221a0.90800.20770.67840.090*
H221c0.81300.20940.58370.090*
H221b0.74920.21340.66330.090*
H222b0.81150.16190.70280.059*
H222a0.85830.15840.61650.059*
H223b0.58390.16590.62670.049*
H223a0.62550.16650.53830.049*
H224a0.69350.11670.55550.049*
H224b0.66340.11580.64730.049*
H225b0.42760.11660.58530.048*
H225a0.49150.08950.54380.048*
H226a0.49590.12470.42750.036*
H226b0.39760.14540.46540.036*
H2300.43750.16460.33690.046*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ir110.0336 (2)0.0378 (2)0.0213 (1)0.0025 (1)0.0072 (1)0.0058 (1)
Ir120.0274 (1)0.0314 (2)0.0257 (1)0.0037 (1)0.0072 (1)0.0041 (1)
Ir210.0298 (2)0.0316 (2)0.0246 (1)0.0012 (1)0.0068 (1)0.0083 (1)
Ir220.0272 (1)0.0272 (2)0.0234 (1)0.0031 (1)0.0048 (1)0.0012 (1)
Mo110.0315 (3)0.0342 (4)0.0236 (3)0.0013 (3)0.0079 (3)0.0012 (3)
Mo120.0280 (3)0.0315 (4)0.0264 (3)0.0001 (3)0.0065 (3)0.0045 (3)
Mo210.0304 (3)0.0318 (4)0.0310 (3)0.0046 (3)0.0094 (3)0.0074 (3)
Mo220.0275 (3)0.0275 (3)0.0234 (3)0.0015 (3)0.0041 (2)0.0011 (3)
Cl10.232 (9)0.053 (4)0.098 (5)0.027 (5)0.007 (5)0.003 (3)
Cl20.24 (1)0.084 (6)0.26 (1)0.060 (6)0.010 (9)0.079 (7)
S10.045 (1)0.039 (1)0.0209 (9)0.0156 (9)0.0060 (8)0.0013 (8)
O1010.087 (5)0.090 (5)0.026 (2)0.028 (4)0.008 (3)0.000 (3)
O1020.086 (5)0.081 (5)0.064 (4)0.028 (4)0.027 (4)0.032 (3)
O1030.046 (3)0.060 (4)0.036 (3)0.007 (3)0.001 (2)0.002 (3)
O1040.063 (4)0.046 (4)0.060 (4)0.020 (3)0.030 (3)0.009 (3)
O1050.062 (4)0.088 (5)0.039 (3)0.014 (3)0.028 (3)0.009 (3)
O1060.031 (2)0.052 (4)0.064 (4)0.001 (3)0.006 (2)0.003 (3)
O1070.072 (4)0.058 (4)0.038 (3)0.020 (3)0.010 (3)0.020 (3)
O1080.038 (3)0.038 (3)0.107 (5)0.000 (3)0.003 (3)0.015 (3)
O2010.059 (4)0.102 (5)0.032 (2)0.020 (4)0.007 (3)0.019 (3)
O2020.060 (4)0.054 (4)0.065 (4)0.021 (3)0.021 (3)0.017 (3)
O2030.046 (3)0.099 (5)0.031 (2)0.028 (3)0.002 (3)0.005 (3)
O2040.063 (4)0.066 (4)0.061 (4)0.041 (3)0.012 (3)0.008 (3)
O2050.058 (4)0.041 (3)0.076 (4)0.017 (3)0.030 (3)0.032 (3)
O2060.066 (4)0.052 (4)0.070 (4)0.011 (3)0.006 (3)0.031 (3)
O2070.066 (4)0.057 (4)0.060 (4)0.014 (3)0.048 (3)0.019 (3)
O2080.031 (2)0.072 (4)0.046 (3)0.011 (3)0.007 (2)0.021 (3)
C010.15 (2)0.07 (1)0.10 (2)0.001 (6)0.04 (1)0.05 (1)
C1010.053 (5)0.043 (5)0.029 (3)0.010 (4)0.011 (3)0.004 (3)
C1020.047 (5)0.058 (5)0.035 (4)0.010 (4)0.010 (4)0.008 (4)
C1030.032 (4)0.038 (4)0.030 (3)0.003 (3)0.011 (2)0.005 (3)
C1040.042 (4)0.034 (4)0.032 (4)0.006 (3)0.008 (3)0.003 (3)
C1050.049 (5)0.047 (5)0.030 (4)0.002 (4)0.013 (3)0.010 (3)
C1060.029 (3)0.038 (4)0.044 (4)0.001 (3)0.018 (3)0.003 (3)
C1070.051 (5)0.044 (5)0.028 (3)0.001 (4)0.010 (3)0.003 (3)
C1080.028 (4)0.038 (3)0.050 (5)0.002 (2)0.006 (3)0.000 (4)
C1090.044 (5)0.033 (5)0.081 (5)0.001 (4)0.013 (4)0.004 (5)
C1100.079 (5)0.034 (5)0.070 (4)0.013 (4)0.051 (4)0.015 (4)
C1110.074 (4)0.031 (4)0.035 (4)0.009 (4)0.011 (4)0.001 (4)
C1120.037 (4)0.042 (5)0.053 (4)0.012 (4)0.013 (3)0.001 (4)
C1130.058 (4)0.042 (5)0.037 (4)0.005 (4)0.001 (3)0.014 (4)
C1140.17 (1)0.073 (8)0.041 (4)0.004 (8)0.006 (7)0.033 (5)
C1150.036 (4)0.045 (4)0.042 (4)0.017 (3)0.013 (3)0.006 (4)
C1160.050 (5)0.037 (4)0.049 (4)0.004 (4)0.017 (3)0.011 (3)
C1170.038 (4)0.046 (4)0.032 (4)0.005 (3)0.013 (3)0.003 (3)
C1180.031 (4)0.038 (4)0.043 (4)0.002 (3)0.019 (3)0.003 (3)
C1190.026 (4)0.051 (4)0.042 (3)0.000 (3)0.015 (3)0.000 (3)
C1200.036 (5)0.080 (7)0.045 (5)0.012 (4)0.004 (3)0.003 (4)
C1210.22 (2)0.080 (9)0.083 (8)0.07 (1)0.05 (1)0.040 (6)
C1220.075 (7)0.065 (7)0.075 (6)0.029 (5)0.012 (6)0.019 (5)
C1230.064 (6)0.052 (5)0.040 (4)0.006 (4)0.008 (4)0.011 (4)
C1240.049 (5)0.048 (5)0.038 (4)0.014 (3)0.014 (4)0.006 (3)
C1250.039 (4)0.041 (4)0.024 (3)0.003 (3)0.006 (3)0.003 (3)
C1260.033 (4)0.036 (4)0.023 (3)0.003 (3)0.004 (3)0.003 (3)
C1270.031 (2)0.030 (2)0.025 (3)0.001 (2)0.004 (2)0.003 (2)
C1280.030 (3)0.028 (3)0.024 (2)0.003 (2)0.009 (2)0.003 (2)
C1290.026 (3)0.027 (4)0.026 (2)0.001 (2)0.006 (3)0.004 (3)
C1300.036 (4)0.046 (5)0.026 (3)0.011 (4)0.004 (3)0.002 (3)
C2010.032 (4)0.053 (5)0.031 (2)0.004 (4)0.007 (3)0.011 (4)
C2020.041 (4)0.037 (4)0.032 (4)0.005 (2)0.013 (3)0.015 (3)
C2030.030 (4)0.045 (5)0.030 (2)0.006 (3)0.001 (3)0.000 (3)
C2040.049 (4)0.034 (4)0.040 (4)0.010 (3)0.009 (4)0.004 (4)
C2050.040 (4)0.042 (4)0.040 (4)0.009 (4)0.015 (3)0.013 (3)
C2060.041 (4)0.044 (5)0.044 (5)0.010 (3)0.005 (3)0.003 (3)
C2070.035 (4)0.031 (4)0.038 (4)0.006 (3)0.006 (3)0.009 (3)
C2080.029 (3)0.044 (4)0.029 (4)0.003 (3)0.008 (2)0.006 (3)
C2090.029 (4)0.065 (4)0.056 (4)0.017 (4)0.012 (4)0.024 (4)
C2100.035 (4)0.061 (4)0.067 (4)0.001 (4)0.018 (4)0.002 (5)
C2110.033 (4)0.052 (5)0.071 (4)0.008 (4)0.026 (4)0.021 (4)
C2120.043 (5)0.060 (5)0.055 (5)0.015 (4)0.023 (4)0.008 (3)
C2130.043 (5)0.043 (4)0.068 (4)0.011 (4)0.023 (4)0.002 (3)
C2140.097 (8)0.046 (4)0.120 (9)0.016 (6)0.043 (7)0.014 (6)
C2150.074 (4)0.037 (5)0.043 (5)0.020 (4)0.025 (4)0.017 (4)
C2160.072 (4)0.024 (4)0.113 (6)0.001 (4)0.061 (5)0.001 (5)
C2170.040 (5)0.042 (5)0.106 (5)0.012 (4)0.015 (5)0.036 (5)
C2180.048 (4)0.040 (5)0.036 (4)0.006 (4)0.003 (3)0.018 (4)
C2190.044 (3)0.024 (4)0.040 (3)0.011 (3)0.007 (2)0.004 (3)
C2200.044 (4)0.053 (6)0.062 (5)0.011 (4)0.009 (4)0.008 (4)
C2210.078 (7)0.064 (5)0.070 (7)0.014 (6)0.006 (6)0.006 (5)
C2220.042 (4)0.066 (5)0.037 (4)0.010 (4)0.007 (3)0.001 (4)
C2230.039 (4)0.061 (4)0.016 (3)0.001 (4)0.005 (3)0.001 (3)
C2240.031 (3)0.061 (4)0.025 (4)0.001 (4)0.004 (3)0.010 (4)
C2250.033 (4)0.057 (5)0.028 (3)0.006 (3)0.002 (3)0.007 (3)
C2260.027 (3)0.038 (4)0.025 (3)0.006 (3)0.005 (3)0.001 (3)
C2270.026 (2)0.030 (3)0.024 (3)0.001 (2)0.003 (2)0.005 (2)
C2280.026 (3)0.026 (3)0.023 (3)0.000 (2)0.005 (2)0.003 (2)
C2290.026 (3)0.033 (4)0.021 (2)0.004 (2)0.006 (3)0.006 (3)
C2300.041 (4)0.046 (5)0.026 (4)0.017 (3)0.002 (3)0.005 (3)
Geometric parameters (Å, º) top
Ir11—Ir122.6963 (4)C116—C1171.41 (1)
Ir11—Mo112.8027 (7)C116—H1160.95
Ir11—Mo122.8223 (6)C117—C1181.40 (1)
Ir11—C1011.906 (7)C117—H1170.95
Ir11—C1021.901 (8)C118—C1191.43 (1)
Ir11—C1052.343 (8)C118—H1180.95
Ir11—C1072.344 (8)C119—C1201.50 (1)
Ir11—C1272.114 (7)C120—H120c0.95
Ir12—Mo112.8386 (7)C120—H120b0.95
Ir12—Mo122.8054 (6)C120—H120a0.95
Ir12—C1031.898 (7)C121—C1221.50 (1)
Ir12—C1041.902 (7)C121—H121b0.95
Ir12—C1062.389 (7)C121—H121a0.95
Ir12—C1082.338 (7)C121—H121c0.95
Ir12—C1282.139 (7)C122—C1231.50 (1)
Ir21—Ir222.6960 (4)C122—H122a0.95
Ir21—Mo212.8307 (6)C122—H122b0.95
Ir21—Mo222.8039 (6)C123—C1241.52 (1)
Ir21—C2011.905 (7)C123—H123b0.95
Ir21—C2021.909 (8)C123—H123a0.95
Ir21—C2052.343 (7)C124—C1251.54 (1)
Ir21—C2072.324 (7)C124—H124a0.95
Ir21—C2272.125 (6)C124—H124b0.95
Ir22—Mo212.8161 (6)C125—C1261.528 (9)
Ir22—Mo222.8152 (6)C125—H125a0.95
Ir22—C2031.905 (7)C125—H125b0.95
Ir22—C2041.916 (8)C126—C1271.538 (9)
Ir22—C2062.359 (8)C126—H126b0.95
Ir22—C2082.311 (7)C126—H126a0.95
Ir22—C2282.139 (6)C127—C1281.484 (9)
Mo11—C1051.987 (7)C128—C1291.456 (8)
Mo11—C1061.982 (7)C129—C1301.358 (9)
Mo11—C1272.328 (7)C130—C2301.415 (9)
Mo11—C1282.384 (6)C130—H1300.95
Mo12—C1071.983 (7)C209—C2101.39 (1)
Mo12—C1081.989 (7)C209—C2131.41 (1)
Mo12—C1272.364 (7)C209—H2090.95
Mo12—C1282.342 (6)C210—C2111.39 (1)
Mo21—C2051.991 (7)C210—H2100.95
Mo21—C2061.996 (8)C211—C2121.41 (1)
Mo21—C2272.360 (7)C211—H2110.95
Mo21—C2282.345 (6)C212—C2131.43 (1)
Mo22—C2071.991 (7)C212—H2120.95
Mo22—C2081.981 (7)C213—C2141.45 (1)
Mo22—C2272.356 (6)C214—H214b0.95
Mo22—C2282.348 (6)C214—H214c0.95
Cl1—C011.753 (9)C214—H214a0.95
Cl2—C011.744 (9)C215—C2161.41 (1)
S1—C1291.746 (7)C215—C2191.40 (1)
S1—C2291.731 (6)C215—H2150.95
O101—C1011.145 (8)C216—C2171.38 (1)
O102—C1021.133 (9)C216—H2160.95
O103—C1031.148 (8)C217—C2181.42 (1)
O104—C1041.142 (8)C217—H2170.95
O105—C1051.159 (8)C218—C2191.42 (1)
O106—C1061.166 (8)C218—H2180.95
O107—C1071.176 (8)C219—C2201.48 (1)
O108—C1081.179 (8)C220—H220b0.95
O201—C2011.138 (8)C220—H220c0.95
O202—C2021.138 (8)C220—H220a0.95
O203—C2031.144 (8)C221—C2221.51 (1)
O204—C2041.130 (8)C221—H221a0.95
O205—C2051.170 (8)C221—H221c0.95
O206—C2061.154 (9)C221—H221b0.95
O207—C2071.174 (8)C222—C2231.52 (1)
O208—C2081.172 (7)C222—H222b0.95
C01—H01a0.95C222—H222a0.95
C01—H01b0.95C223—C2241.48 (1)
C109—C1101.39 (1)C223—H223b0.95
C109—C1131.38 (1)C223—H223a0.95
C109—H1090.95C224—C2251.538 (9)
C110—C1111.39 (1)C224—H224a0.95
C110—H1100.95C224—H224b0.95
C111—C1121.42 (1)C225—C2261.513 (9)
C111—H1110.95C225—H225b0.95
C112—C1131.41 (1)C225—H225a0.95
C112—H1120.95C226—C2271.540 (9)
C113—C1141.50 (1)C226—H226a0.95
C114—H114a0.95C226—H226b0.95
C114—H114b0.95C227—C2281.448 (8)
C114—H114c0.95C228—C2291.482 (9)
C115—C1161.40 (1)C229—C2301.351 (9)
C115—C1191.43 (1)C230—H2300.95
C115—H1150.95
Cl1···C1123.317 (9)C106···C1122.87 (1)
Cl1···O203i3.404 (9)C106···C1103.51 (1)
Cl1···C1113.55 (1)C107···C1152.72 (1)
Cl2···C109ii3.43 (1)C107···C1192.96 (1)
S1···C1103.561 (8)C107···C1203.38 (1)
O101···C218iii3.416 (9)C107···C1163.47 (1)
O102···O103iv3.060 (8)C108···C1162.74 (1)
O102···C103iv3.311 (9)C108···C1173.19 (1)
O102···O108iv3.464 (9)C108···C1153.27 (1)
O103···C215i3.422 (9)C109···C1263.31 (1)
O103···C221iv3.57 (1)C109···C1273.44 (1)
O104···C120i3.33 (1)C109···C1253.51 (1)
O104···C115i3.348 (9)C110···C1283.52 (1)
O104···C119i3.391 (9)C110···C1273.59 (1)
O104···C221iv3.60 (1)C110···C1293.59 (1)
O105···C1143.12 (1)C115···C217iv3.50 (1)
O105···C1133.29 (1)C115···C218iv3.54 (1)
O105···C223iii3.293 (8)C116···C217iv3.54 (1)
O105···C120i3.33 (1)C117···C1293.46 (1)
O105···C222iii3.409 (9)C117···C1283.543 (9)
O105···C1123.43 (1)C118···C1283.391 (9)
O106···C118i3.009 (8)C118···C1293.405 (9)
O106···C1113.20 (1)C118···C1273.439 (9)
O106···C1123.36 (1)C118···C1263.46 (1)
O106···O208i3.396 (8)C205···C2092.75 (1)
O106···C119i3.435 (9)C205···C2133.01 (1)
O106···C120i3.44 (1)C205···C2103.44 (1)
O107···C1153.149 (9)C205···C2143.46 (1)
O107···C216iv3.21 (1)C206···C2122.77 (1)
O107···C117iv3.368 (9)C206···C2132.88 (1)
O107···C1193.534 (9)C206···C2143.26 (1)
O108···C1163.182 (9)C206···C2113.56 (1)
O108···C217iv3.290 (9)C207···C2182.73 (1)
O201···C114v3.34 (1)C207···C2192.96 (1)
O202···O202vi3.00 (1)C207···C2203.41 (1)
O202···C202vi3.550 (9)C207···C2173.47 (1)
O202···C209vii3.590 (9)C208···C2152.77 (1)
O203···C112vii3.285 (9)C208···C2192.85 (1)
O203···C111vii3.49 (1)C208···C2203.23 (1)
O204···C212vii3.52 (1)C208···C2163.56 (1)
O205···C2093.207 (9)C210···C2263.36 (1)
O205···O205viii3.29 (1)C210···C2273.49 (1)
O205···C209viii3.310 (9)C211···C2293.33 (1)
O205···C121ix3.40 (1)C211···C2283.41 (1)
O205···C2133.51 (1)C216···C2303.37 (1)
O205···C2143.58 (1)C216···C2293.40 (1)
O206···C2143.27 (1)C216···C2283.47 (1)
O206···C01ii3.27 (2)C217···C2263.49 (1)
O206···C2123.30 (1)C217···C2273.50 (1)
O206···C2133.34 (1)Ir11···C1021.901 (8)
O207···C2183.19 (1)Ir11···C1011.906 (7)
O207···C2193.428 (9)Ir11···C1052.343 (8)
O207···C2203.45 (1)Ir11···C1072.344 (8)
O208···C2203.16 (1)Ir11···C1043.365 (7)
O208···C111vii3.176 (9)Ir11···C1083.519 (8)
O208···C2153.24 (1)Ir12···C1031.898 (7)
O208···C2193.258 (9)Ir12···C1041.902 (7)
O208···C211vii3.285 (9)Ir12···C1082.338 (7)
C01···C01x2.74 (3)Ir12···C1062.389 (7)
C104···C120i3.56 (1)Ir12···C1053.388 (8)
C105···C1132.80 (1)Ir12···C1023.421 (7)
C105···C1122.95 (1)Mo11···C1061.982 (7)
C105···C1143.10 (1)Mo11···C1051.987 (7)
C105···C1093.49 (1)Mo12···C1071.983 (7)
C106···C1112.73 (1)Mo12···C1081.989 (7)
Ir12—Ir11—Mo1162.12 (1)C113—C114—H114a109.5
Ir12—Ir11—Mo1261.06 (1)C113—C114—H114b109.5
Ir12—Ir11—C101173.8 (2)C113—C114—H114c109.5
Ir12—Ir11—C10294.6 (2)H114a—C114—H114b109.5
Ir12—Ir11—C10584.2 (2)H114a—C114—H114c109.5
Ir12—Ir11—C10793.9 (2)H114b—C114—H114c109.5
Ir12—Ir11—C12773.2 (2)C116—C115—C119108.9 (7)
Mo11—Ir11—Mo1297.05 (2)C116—C115—H115125.5
Mo11—Ir11—C101111.7 (2)C119—C115—H115125.5
Mo11—Ir11—C102124.9 (2)C115—C116—C117108.1 (7)
Mo11—Ir11—C10544.3 (2)C115—C116—H116125.9
Mo11—Ir11—C107140.6 (2)C117—C116—H116125.9
Mo11—Ir11—C12754.4 (2)C116—C117—C118108.2 (6)
Mo12—Ir11—C101121.3 (2)C116—C117—H117125.9
Mo12—Ir11—C102114.8 (3)C118—C117—H117125.9
Mo12—Ir11—C105139.0 (2)C117—C118—C119108.7 (7)
Mo12—Ir11—C10743.9 (2)C117—C118—H118125.6
Mo12—Ir11—C12755.0 (2)C119—C118—H118125.7
C101—Ir11—C10289.4 (3)C115—C119—C118106.0 (6)
C101—Ir11—C10591.3 (3)C115—C119—C120126.0 (7)
C101—Ir11—C10791.1 (3)C118—C119—C120127.9 (7)
C101—Ir11—C127103.2 (3)C119—C120—H120c109.5
C102—Ir11—C10587.3 (3)C119—C120—H120b109.5
C102—Ir11—C10785.2 (3)C119—C120—H120a109.5
C102—Ir11—C127166.8 (3)H120c—C120—H120b109.5
C105—Ir11—C107172.1 (3)H120c—C120—H120a109.5
C105—Ir11—C12796.5 (3)H120b—C120—H120a109.5
C107—Ir11—C12790.3 (3)C122—C121—H121b109.5
Ir11—Ir12—Mo1160.78 (1)C122—C121—H121a109.5
Ir11—Ir12—Mo1261.69 (1)C122—C121—H121c109.5
Ir11—Ir12—C103176.5 (2)H121b—C121—H121a109.5
Ir11—Ir12—C10492.5 (2)H121b—C121—H121c109.5
Ir11—Ir12—C10696.1 (2)H121a—C121—H121c109.5
Ir11—Ir12—C10888.4 (2)C121—C122—C123113.7 (9)
Ir11—Ir12—C12873.6 (2)C121—C122—H122a108.4
Mo11—Ir12—Mo1296.62 (2)C121—C122—H122b108.4
Mo11—Ir12—C103117.1 (2)C123—C122—H122a108.4
Mo11—Ir12—C104118.5 (2)C123—C122—H122b108.4
Mo11—Ir12—C10643.5 (2)H122a—C122—H122b109.5
Mo11—Ir12—C108140.3 (2)C122—C123—C124115.5 (7)
Mo11—Ir12—C12855.1 (2)C122—C123—H123b108.0
Mo12—Ir12—C103116.7 (2)C122—C123—H123a108.0
Mo12—Ir12—C104118.8 (2)C124—C123—H123b107.9
Mo12—Ir12—C106138.7 (2)C124—C123—H123a108.0
Mo12—Ir12—C10844.3 (2)H123b—C123—H123a109.5
Mo12—Ir12—C12854.5 (2)C123—C124—C125113.7 (6)
C103—Ir12—C10491.0 (3)C123—C124—H124a108.4
C103—Ir12—C10683.2 (3)C123—C124—H124b108.4
C103—Ir12—C10892.3 (3)C125—C124—H124a108.4
C103—Ir12—C128102.9 (3)C125—C124—H124b108.4
C104—Ir12—C10694.8 (3)H124a—C124—H124b109.5
C104—Ir12—C10884.6 (3)C124—C125—C126112.7 (6)
C104—Ir12—C128166.1 (3)C124—C125—H125a108.7
C106—Ir12—C108175.5 (3)C124—C125—H125b108.7
C106—Ir12—C12887.1 (2)C126—C125—H125a108.7
C108—Ir12—C12894.5 (3)C126—C125—H125b108.7
Ir22—Ir21—Mo2161.21 (1)H125a—C125—H125b109.5
Ir22—Ir21—Mo2261.54 (1)C125—C126—C127114.8 (5)
Ir22—Ir21—C201175.4 (2)C125—C126—H126b108.1
Ir22—Ir21—C20293.4 (2)C125—C126—H126a108.1
Ir22—Ir21—C20592.8 (2)C127—C126—H126b108.1
Ir22—Ir21—C20789.7 (2)C127—C126—H126a108.1
Ir22—Ir21—C22773.5 (2)H126b—C126—H126a109.5
Mo21—Ir21—Mo2296.95 (2)Ir11—C127—Mo1178.1 (2)
Mo21—Ir21—C201118.5 (2)Ir11—C127—Mo1277.9 (2)
Mo21—Ir21—C202119.4 (2)Ir11—C127—C126130.4 (4)
Mo21—Ir21—C20544.0 (2)Ir11—C127—C128107.8 (4)
Mo21—Ir21—C207141.2 (2)Mo11—C127—Mo12127.9 (3)
Mo21—Ir21—C22754.7 (2)Mo11—C127—C126115.1 (4)
Mo22—Ir21—C201114.4 (2)Mo11—C127—C12873.7 (4)
Mo22—Ir21—C202118.7 (2)Mo12—C127—C126115.7 (4)
Mo22—Ir21—C205140.9 (2)Mo12—C127—C12870.8 (4)
Mo22—Ir21—C20744.5 (2)C126—C127—C128121.7 (5)
Mo22—Ir21—C22755.0 (2)Ir12—C128—Mo1177.5 (2)
C201—Ir21—C20290.7 (3)Ir12—C128—Mo1277.4 (2)
C201—Ir21—C20589.5 (3)Ir12—C128—C127105.3 (4)
C201—Ir21—C20788.4 (3)Ir12—C128—C129125.3 (5)
C201—Ir21—C227102.5 (3)Mo11—C128—Mo12126.2 (3)
C202—Ir21—C20589.8 (3)Mo11—C128—C12769.6 (3)
C202—Ir21—C20785.0 (3)Mo11—C128—C129118.3 (4)
C202—Ir21—C227166.8 (3)Mo12—C128—C12772.4 (4)
C205—Ir21—C207174.4 (2)Mo12—C128—C129115.1 (4)
C205—Ir21—C22791.1 (3)C127—C128—C129129.4 (6)
C207—Ir21—C22794.5 (2)S1—C129—C128124.3 (5)
Ir21—Ir22—Mo2161.75 (1)S1—C129—C130107.3 (5)
Ir21—Ir22—Mo2261.12 (1)C128—C129—C130128.3 (6)
Ir21—Ir22—C203175.4 (2)C129—C130—C230115.0 (6)
Ir21—Ir22—C20494.4 (2)C129—C130—H130122.5
Ir21—Ir22—C20689.4 (2)C230—C130—H130122.5
Ir21—Ir22—C20890.7 (2)Ir21—C201—O201173.5 (7)
Ir21—Ir22—C22872.5 (2)Ir21—C202—O202178.5 (6)
Mo21—Ir22—Mo2297.03 (2)Ir22—C203—O203173.4 (6)
Mo21—Ir22—C203114.5 (2)Ir22—C204—O204178.9 (7)
Mo21—Ir22—C204120.9 (2)Ir21—C205—Mo2181.1 (3)
Mo21—Ir22—C20644.3 (2)Ir21—C205—O205122.1 (5)
Mo21—Ir22—C208141.1 (2)Mo21—C205—O205156.7 (6)
Mo21—Ir22—C22854.4 (2)Ir22—C206—Mo2180.1 (3)
Mo22—Ir22—C203118.2 (2)Ir22—C206—O206122.7 (6)
Mo22—Ir22—C204118.3 (2)Mo21—C206—O206157.2 (7)
Mo22—Ir22—C206141.0 (2)Ir21—C207—Mo2280.7 (3)
Mo22—Ir22—C20844.1 (2)Ir21—C207—O207124.6 (5)
Mo22—Ir22—C22854.5 (2)Mo22—C207—O207154.8 (6)
C203—Ir22—C20489.8 (3)Ir22—C208—Mo2281.6 (2)
C203—Ir22—C20689.1 (3)Ir22—C208—O208124.6 (5)
C203—Ir22—C20891.4 (3)Mo22—C208—O208153.8 (6)
C203—Ir22—C228103.3 (3)C210—C209—C213109.2 (7)
C204—Ir22—C20686.8 (3)C210—C209—H209125.4
C204—Ir22—C20885.7 (3)C213—C209—H209125.4
C204—Ir22—C228166.8 (3)C209—C210—C211108.0 (8)
C206—Ir22—C208172.5 (3)C209—C210—H210126.0
C206—Ir22—C22894.2 (3)C211—C210—H210126.0
C208—Ir22—C22892.9 (2)C210—C211—C212108.7 (7)
Ir11—Mo11—Ir1257.10 (1)C210—C211—H211125.6
Ir11—Mo11—C10555.5 (2)C212—C211—H211125.6
Ir11—Mo11—C106103.4 (2)C211—C212—C213107.6 (8)
Ir11—Mo11—C12747.6 (2)C211—C212—H212126.2
Ir11—Mo11—C12868.3 (1)C213—C212—H212126.2
Ir12—Mo11—C10587.3 (2)C209—C213—C212106.5 (8)
Ir12—Mo11—C10656.1 (2)C209—C213—C214125.3 (9)
Ir12—Mo11—C12767.7 (2)C212—C213—C214127.8 (9)
Ir12—Mo11—C12847.4 (2)C213—C214—H214b109.5
C105—Mo11—C10688.7 (3)C213—C214—H214c109.5
C105—Mo11—C127100.7 (3)C213—C214—H214a109.5
C105—Mo11—C128121.9 (3)H214b—C214—H214c109.5
C106—Mo11—C127122.4 (3)H214b—C214—H214a109.5
C106—Mo11—C12890.9 (3)H214c—C214—H214a109.5
C127—Mo11—C12836.7 (2)C216—C215—C219108.6 (7)
Ir11—Mo12—Ir1257.25 (1)C216—C215—H215125.7
Ir11—Mo12—C10755.1 (2)C219—C215—H215125.7
Ir11—Mo12—C10892.3 (2)C215—C216—C217108.9 (7)
Ir11—Mo12—C12747.1 (2)C215—C216—H216125.6
Ir11—Mo12—C12868.4 (2)C217—C216—H216125.6
Ir12—Mo12—C10799.5 (2)C216—C217—C218107.7 (8)
Ir12—Mo12—C10855.2 (2)C216—C217—H217126.2
Ir12—Mo12—C12767.8 (2)C218—C217—H217126.2
Ir12—Mo12—C12848.1 (2)C217—C218—C219108.0 (7)
C107—Mo12—C10889.9 (3)C217—C218—H218126.0
C107—Mo12—C12793.0 (3)C219—C218—H218126.0
C107—Mo12—C128123.2 (3)C215—C219—C218106.9 (7)
C108—Mo12—C127122.6 (3)C215—C219—C220127.7 (7)
C108—Mo12—C12898.6 (3)C218—C219—C220125.1 (7)
C127—Mo12—C12836.8 (2)C219—C220—H220b109.5
Ir21—Mo21—Ir2257.04 (1)C219—C220—H220c109.5
Ir21—Mo21—C20554.9 (2)C219—C220—H220a109.5
Ir21—Mo21—C20693.6 (2)H220b—C220—H220c109.5
Ir21—Mo21—C22747.3 (2)H220b—C220—H220a109.5
Ir21—Mo21—C22867.3 (1)H220c—C220—H220a109.5
Ir22—Mo21—C20597.6 (2)C222—C221—H221a109.5
Ir22—Mo21—C20655.6 (2)C222—C221—H221c109.5
Ir22—Mo21—C22768.0 (2)C222—C221—H221b109.5
Ir22—Mo21—C22847.9 (2)H221a—C221—H221c109.5
C205—Mo21—C20688.9 (3)H221a—C221—H221b109.5
C205—Mo21—C22794.0 (3)H221c—C221—H221b109.5
C205—Mo21—C228122.0 (3)C221—C222—C223114.4 (7)
C206—Mo21—C227123.4 (3)C221—C222—H222b108.2
C206—Mo21—C22898.6 (3)C221—C222—H222a108.2
C227—Mo21—C22835.8 (2)C223—C222—H222b108.2
Ir21—Mo22—Ir2257.34 (1)C223—C222—H222a108.2
Ir21—Mo22—C20754.9 (2)H222b—C222—H222a109.5
Ir21—Mo22—C20895.0 (2)C222—C223—C224112.4 (6)
Ir21—Mo22—C22747.7 (2)C222—C223—H223b108.7
Ir21—Mo22—C22867.7 (2)C222—C223—H223a108.7
Ir22—Mo22—C20793.6 (2)C224—C223—H223b108.7
Ir22—Mo22—C20854.3 (2)C224—C223—H223a108.7
Ir22—Mo22—C22768.1 (2)H223b—C223—H223a109.5
Ir22—Mo22—C22847.9 (2)C223—C224—C225116.2 (6)
C207—Mo22—C20886.1 (3)C223—C224—H224a107.8
C207—Mo22—C22797.2 (3)C223—C224—H224b107.8
C207—Mo22—C228122.5 (3)C225—C224—H224a107.8
C208—Mo22—C227122.4 (3)C225—C224—H224b107.8
C208—Mo22—C22896.1 (2)H224a—C224—H224b109.5
C227—Mo22—C22835.9 (2)C224—C225—C226112.2 (6)
C129—S1—C22994.7 (3)C224—C225—H225b108.8
Cl1—C01—Cl2105.6 (7)C224—C225—H225a108.8
Cl1—C01—H01a110.4C226—C225—H225b108.8
Cl1—C01—H01b110.5C226—C225—H225a108.8
Cl2—C01—H01a110.4H225b—C225—H225a109.5
Cl2—C01—H01b110.4C225—C226—C227116.8 (6)
H01a—C01—H01b109.4C225—C226—H226a107.6
Ir11—C101—O101172.8 (7)C225—C226—H226b107.6
Ir11—C102—O102176.9 (7)C227—C226—H226a107.6
Ir12—C103—O103172.1 (6)C227—C226—H226b107.6
Ir12—C104—O104177.5 (7)H226a—C226—H226b109.5
Ir11—C105—Mo1180.2 (3)Ir21—C227—Mo2178.1 (2)
Ir11—C105—O105124.3 (6)Ir21—C227—Mo2277.3 (2)
Mo11—C105—O105155.5 (7)Ir21—C227—C226130.3 (4)
Ir12—C106—Mo1180.4 (2)Ir21—C227—C228106.7 (4)
Ir12—C106—O106122.5 (6)Mo21—C227—Mo22126.9 (3)
Mo11—C106—O106156.9 (6)Mo21—C227—C226113.7 (4)
Ir11—C107—Mo1281.0 (3)Mo21—C227—C22871.5 (4)
Ir11—C107—O107122.2 (6)Mo22—C227—C226118.2 (4)
Mo12—C107—O107156.7 (6)Mo22—C227—C22871.8 (3)
Ir12—C108—Mo1280.4 (3)C226—C227—C228122.9 (6)
Ir12—C108—O108123.3 (5)Ir22—C228—Mo2177.7 (2)
Mo12—C108—O108156.3 (6)Ir22—C228—Mo2277.6 (2)
C110—C109—C113109.2 (7)Ir22—C228—C227107.4 (4)
C110—C109—H109125.4Ir22—C228—C229127.1 (4)
C113—C109—H109125.4Mo21—C228—Mo22128.0 (3)
C109—C110—C111108.3 (7)Mo21—C228—C22772.7 (4)
C109—C110—H110125.8Mo21—C228—C229116.2 (4)
C111—C110—H110125.8Mo22—C228—C22772.4 (4)
C110—C111—C112107.4 (7)Mo22—C228—C229115.2 (4)
C110—C111—H111126.3C227—C228—C229125.5 (6)
C112—C111—H111126.3S1—C229—C228119.2 (5)
C111—C112—C113107.3 (7)S1—C229—C230108.1 (5)
C111—C112—H112126.4C228—C229—C230132.7 (6)
C113—C112—H112126.4C130—C230—C229114.9 (6)
C109—C113—C112107.7 (7)C130—C230—H230122.6
C109—C113—C114125.8 (9)C229—C230—H230122.6
C112—C113—C114126.2 (9)
Symmetry codes: (i) x+1, y, z; (ii) x+1, y, z; (iii) x, y, z1; (iv) x, y+1/2, z1/2; (v) x, y, z+1; (vi) x, y, z+1; (vii) x1, y, z; (viii) x+1, y, z+1; (ix) x, y, z; (x) x+2, y, z.
 

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