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The title compound, [Ru(CO)3(PPh3)]3, has three ruthenium centres, each in an octahedral environment with distortion from ideal geometry. The compound contains the characteristic triangular Ru3 core, with the phospho­rus ligands each occupying an equatorial position at one end of an Ru-Ru vector.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802004932/wn6089sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802004932/wn6089Isup2.hkl
Contains datablock I

CCDC reference: 183771

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.042
  • wR factor = 0.106
  • Data-to-parameter ratio = 18.1

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SHELXTL (Bruker, 1998); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Tris(tricarbonyl-(triphenylphosphine)ruthenium) top
Crystal data top
[Ru3(C18H15P)3(CO)9]F(000) = 2688
Mr = 1342.11Dx = 1.595 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 1013 reflections
a = 14.174 (2) Åθ = 2.9–26.7°
b = 21.640 (4) ŵ = 0.94 mm1
c = 18.239 (3) ÅT = 173 K
β = 92.533 (17)°Needle, dark red
V = 5589.0 (17) Å30.4 × 0.1 × 0.1 mm
Z = 4
Data collection top
Bruker CCD area-detector
diffractometer
12757 independent reflections
Radiation source: fine-focus sealed tube8075 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.072
ω rotation with narrow frames scansθmax = 27.5°, θmin = 1.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1818
Tmin = 0.808, Tmax = 0.909k = 2728
35892 measured reflectionsl = 1623
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.106H-atom parameters constrained
S = 0.96 w = 1/[σ2(Fo2) + (0.0463P)2]
where P = (Fo2 + 2Fc2)/3
12757 reflections(Δ/σ)max = 0.001
703 parametersΔρmax = 0.55 e Å3
0 restraintsΔρmin = 0.57 e Å3
Special details top

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.

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ru10.46717 (3)0.190894 (16)0.32569 (2)0.01654 (9)
Ru20.53759 (3)0.087938 (17)0.24616 (2)0.01967 (10)
Ru30.66674 (3)0.163244 (16)0.33233 (2)0.01766 (9)
P10.43513 (8)0.26364 (5)0.41610 (7)0.0189 (3)
P20.41582 (9)0.02081 (5)0.20968 (7)0.0206 (3)
P30.80634 (8)0.10518 (5)0.34821 (7)0.0195 (3)
O100.2838 (3)0.20990 (17)0.2377 (2)0.0400 (10)
O110.5564 (3)0.29216 (16)0.2338 (2)0.0354 (9)
O120.4044 (2)0.08821 (15)0.43052 (19)0.0290 (8)
O200.6802 (3)0.03523 (17)0.1447 (2)0.0462 (11)
O210.4794 (3)0.18187 (16)0.1275 (2)0.0369 (9)
O220.5527 (2)0.00122 (15)0.3800 (2)0.0315 (8)
O300.7501 (3)0.28750 (16)0.3747 (2)0.0424 (10)
O310.7118 (3)0.20452 (17)0.1772 (2)0.0381 (9)
O320.6094 (2)0.11508 (15)0.48290 (19)0.0274 (8)
C100.3511 (3)0.2001 (2)0.2730 (3)0.0221 (10)
C110.5293 (3)0.2522 (2)0.2688 (3)0.0247 (11)
C120.4308 (3)0.1234 (2)0.3902 (3)0.0230 (11)
C200.6275 (4)0.0529 (2)0.1861 (3)0.0297 (12)
C210.5016 (4)0.1494 (2)0.1750 (3)0.0274 (12)
C220.5522 (3)0.0355 (2)0.3324 (3)0.0239 (11)
C300.7184 (3)0.2393 (2)0.3635 (3)0.0266 (11)
C310.6908 (3)0.1865 (2)0.2328 (3)0.0266 (11)
C320.6255 (3)0.1333 (2)0.4258 (3)0.0209 (10)
C1010.3133 (3)0.2645 (2)0.4470 (3)0.0230 (11)
C1020.2541 (3)0.2133 (2)0.4385 (3)0.0258 (11)
H10A0.27470.17820.41210.031*
C1030.1657 (3)0.2129 (2)0.4679 (3)0.0327 (13)
H10B0.12610.17760.46220.039*
C1040.1353 (4)0.2639 (3)0.5056 (3)0.0402 (14)
H10C0.07510.26320.52650.048*
C1050.1910 (4)0.3158 (3)0.5135 (3)0.0388 (14)
H10D0.16860.35120.53830.047*
C1060.2807 (3)0.3160 (2)0.4847 (3)0.0304 (12)
H10E0.31990.35140.49080.036*
C1110.4474 (3)0.3445 (2)0.3875 (3)0.0201 (10)
C1120.3991 (4)0.3612 (2)0.3219 (3)0.0292 (12)
H11A0.36160.33120.29620.035*
C1130.4045 (4)0.4201 (2)0.2937 (3)0.0326 (13)
H11B0.37070.43050.24930.039*
C1140.4593 (4)0.4640 (2)0.3303 (3)0.0369 (14)
H11C0.46440.50450.31070.044*
C1150.5061 (4)0.4490 (2)0.3950 (3)0.0413 (15)
H11D0.54330.47950.42040.050*
C1160.5000 (4)0.3894 (2)0.4244 (3)0.0320 (12)
H11E0.53210.37980.46980.038*
C1210.5046 (3)0.2533 (2)0.5018 (3)0.0227 (11)
C1220.6002 (3)0.2706 (2)0.5085 (3)0.0271 (11)
H12A0.62660.29460.47100.033*
C1230.6559 (4)0.2531 (2)0.5686 (3)0.0348 (13)
H12B0.72010.26590.57280.042*
C1240.6191 (4)0.2171 (3)0.6229 (3)0.0427 (15)
H12C0.65800.20460.66400.051*
C1250.5262 (4)0.1993 (2)0.6175 (3)0.0388 (14)
H12D0.50110.17420.65470.047*
C1260.4689 (4)0.2177 (2)0.5582 (3)0.0290 (12)
H12E0.40420.20610.55570.035*
C2010.3542 (3)0.0372 (2)0.1214 (3)0.0249 (11)
C2020.4085 (4)0.0524 (2)0.0628 (3)0.0354 (13)
H20A0.47530.05410.06980.043*
C2030.3675 (5)0.0652 (3)0.0054 (3)0.0472 (16)
H20B0.40590.07460.04530.057*
C2040.2708 (5)0.0643 (3)0.0156 (3)0.0496 (17)
H20C0.24220.07440.06210.060*
C2050.2153 (4)0.0487 (3)0.0419 (3)0.0513 (17)
H20D0.14850.04710.03490.062*
C2060.2576 (4)0.0354 (3)0.1096 (3)0.0379 (14)
H20E0.21920.02480.14910.045*
C2110.4524 (4)0.0594 (2)0.1957 (3)0.0248 (11)
C2120.5438 (4)0.0796 (2)0.2136 (3)0.0290 (12)
H21A0.58940.05130.23330.035*
C2130.5688 (4)0.1408 (2)0.2030 (3)0.0392 (14)
H21B0.63150.15440.21450.047*
C2140.5017 (5)0.1816 (2)0.1756 (3)0.0475 (17)
H21C0.51880.22340.16740.057*
C2150.4107 (5)0.1631 (3)0.1599 (3)0.0480 (16)
H21D0.36480.19220.14270.058*
C2160.3856 (4)0.1021 (2)0.1690 (3)0.0370 (13)
H21E0.32280.08910.15700.044*
C2210.3241 (3)0.0106 (2)0.2765 (2)0.0204 (10)
C2220.2539 (3)0.0546 (2)0.2853 (3)0.0261 (11)
H22A0.24980.08940.25360.031*
C2230.1901 (3)0.0479 (2)0.3399 (3)0.0310 (12)
H22B0.14200.07800.34490.037*
C2240.1953 (4)0.0016 (2)0.3871 (3)0.0324 (13)
H22C0.15100.00570.42440.039*
C2250.2654 (4)0.0453 (2)0.3801 (3)0.0333 (13)
H22D0.26950.07960.41260.040*
C2260.3297 (3)0.0391 (2)0.3253 (3)0.0286 (12)
H22E0.37820.06900.32100.034*
C3010.7979 (3)0.0200 (2)0.3483 (3)0.0214 (10)
C3020.7579 (3)0.0074 (2)0.4081 (3)0.0246 (11)
H30A0.73730.01770.44700.030*
C3030.7476 (3)0.0708 (2)0.4116 (3)0.0312 (12)
H30B0.72010.08880.45300.037*
C3040.7766 (4)0.1080 (2)0.3560 (3)0.0372 (14)
H30C0.76940.15160.35870.045*
C3050.8162 (4)0.0813 (2)0.2962 (3)0.0382 (14)
H30D0.83600.10660.25720.046*
C3060.8274 (4)0.0177 (2)0.2924 (3)0.0315 (12)
H30E0.85560.00010.25110.038*
C3110.8947 (3)0.1215 (2)0.2804 (3)0.0238 (11)
C3120.9817 (3)0.1490 (2)0.3003 (3)0.0304 (12)
H31A0.99650.15940.35000.037*
C3131.0464 (4)0.1609 (2)0.2465 (4)0.0420 (15)
H31B1.10470.18030.25990.050*
C3141.0271 (4)0.1450 (2)0.1747 (4)0.0443 (16)
H31C1.07280.15160.13900.053*
C3150.9416 (4)0.1195 (2)0.1550 (3)0.0390 (14)
H31D0.92730.10970.10500.047*
C3160.8755 (4)0.1079 (2)0.2068 (3)0.0314 (12)
H31E0.81630.09040.19180.038*
C3210.8724 (3)0.1160 (2)0.4363 (3)0.0225 (11)
C3220.9513 (3)0.0789 (2)0.4538 (3)0.0260 (11)
H32A0.96960.04800.42020.031*
C3231.0030 (3)0.0866 (2)0.5192 (3)0.0298 (12)
H32B1.05600.06090.53060.036*
C3240.9772 (4)0.1322 (2)0.5687 (3)0.0339 (13)
H32C1.01260.13770.61370.041*
C3250.9009 (4)0.1689 (3)0.5520 (3)0.0356 (13)
H32D0.88370.20010.58550.043*
C3260.8478 (3)0.1611 (2)0.4860 (3)0.0288 (12)
H32E0.79470.18680.47530.035*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ru10.01424 (19)0.01689 (18)0.0184 (2)0.00075 (15)0.00014 (15)0.00066 (16)
Ru20.0164 (2)0.01996 (19)0.0227 (2)0.00025 (15)0.00088 (16)0.00493 (17)
Ru30.01395 (19)0.01954 (19)0.0194 (2)0.00051 (15)0.00015 (15)0.00190 (16)
P10.0175 (6)0.0193 (6)0.0199 (6)0.0017 (5)0.0000 (5)0.0009 (5)
P20.0189 (6)0.0208 (6)0.0219 (7)0.0006 (5)0.0005 (5)0.0028 (5)
P30.0143 (6)0.0219 (6)0.0224 (7)0.0012 (5)0.0018 (5)0.0012 (5)
O100.027 (2)0.040 (2)0.051 (3)0.0022 (17)0.0169 (19)0.014 (2)
O110.035 (2)0.0302 (19)0.042 (2)0.0022 (17)0.0105 (18)0.0090 (18)
O120.028 (2)0.0269 (18)0.032 (2)0.0016 (15)0.0078 (16)0.0065 (17)
O200.037 (2)0.050 (2)0.053 (3)0.0013 (19)0.021 (2)0.021 (2)
O210.050 (2)0.035 (2)0.026 (2)0.0033 (18)0.0016 (18)0.0035 (18)
O220.030 (2)0.0302 (19)0.033 (2)0.0045 (16)0.0086 (17)0.0015 (18)
O300.051 (3)0.031 (2)0.046 (3)0.0202 (19)0.015 (2)0.0113 (19)
O310.035 (2)0.053 (2)0.027 (2)0.0025 (18)0.0055 (18)0.0104 (19)
O320.0272 (19)0.0303 (18)0.025 (2)0.0017 (15)0.0015 (16)0.0014 (16)
C100.023 (3)0.019 (2)0.025 (3)0.001 (2)0.002 (2)0.003 (2)
C110.021 (3)0.024 (3)0.029 (3)0.001 (2)0.002 (2)0.001 (2)
C120.014 (2)0.028 (3)0.027 (3)0.001 (2)0.002 (2)0.009 (2)
C200.030 (3)0.028 (3)0.031 (3)0.006 (2)0.002 (2)0.008 (2)
C210.030 (3)0.028 (3)0.025 (3)0.004 (2)0.006 (2)0.004 (2)
C220.015 (2)0.024 (3)0.032 (3)0.003 (2)0.007 (2)0.011 (2)
C300.024 (3)0.033 (3)0.023 (3)0.003 (2)0.006 (2)0.001 (2)
C310.020 (3)0.034 (3)0.025 (3)0.005 (2)0.001 (2)0.004 (2)
C320.016 (2)0.018 (2)0.028 (3)0.0004 (19)0.000 (2)0.006 (2)
C1010.023 (3)0.028 (3)0.018 (2)0.005 (2)0.001 (2)0.004 (2)
C1020.026 (3)0.026 (2)0.026 (3)0.003 (2)0.004 (2)0.004 (2)
C1030.024 (3)0.043 (3)0.032 (3)0.000 (2)0.004 (2)0.010 (3)
C1040.029 (3)0.064 (4)0.028 (3)0.009 (3)0.011 (3)0.002 (3)
C1050.033 (3)0.055 (4)0.030 (3)0.009 (3)0.008 (3)0.010 (3)
C1060.023 (3)0.038 (3)0.030 (3)0.002 (2)0.000 (2)0.007 (2)
C1110.017 (2)0.021 (2)0.022 (3)0.0024 (19)0.000 (2)0.000 (2)
C1120.028 (3)0.022 (3)0.037 (3)0.001 (2)0.006 (2)0.003 (2)
C1130.035 (3)0.027 (3)0.035 (3)0.008 (2)0.008 (3)0.005 (2)
C1140.035 (3)0.020 (3)0.055 (4)0.004 (2)0.003 (3)0.009 (3)
C1150.034 (3)0.022 (3)0.066 (4)0.006 (2)0.011 (3)0.008 (3)
C1160.031 (3)0.024 (3)0.040 (3)0.005 (2)0.006 (2)0.005 (2)
C1210.025 (3)0.024 (2)0.020 (3)0.005 (2)0.000 (2)0.007 (2)
C1220.024 (3)0.031 (3)0.026 (3)0.007 (2)0.000 (2)0.011 (2)
C1230.033 (3)0.038 (3)0.033 (3)0.012 (2)0.010 (3)0.012 (3)
C1240.054 (4)0.043 (3)0.029 (3)0.023 (3)0.022 (3)0.007 (3)
C1250.056 (4)0.038 (3)0.022 (3)0.009 (3)0.000 (3)0.001 (3)
C1260.032 (3)0.028 (3)0.027 (3)0.002 (2)0.001 (2)0.003 (2)
C2010.027 (3)0.024 (3)0.023 (3)0.001 (2)0.005 (2)0.001 (2)
C2020.036 (3)0.047 (3)0.023 (3)0.006 (3)0.004 (2)0.006 (3)
C2030.064 (5)0.060 (4)0.017 (3)0.012 (3)0.002 (3)0.001 (3)
C2040.063 (5)0.063 (4)0.021 (3)0.010 (4)0.012 (3)0.003 (3)
C2050.037 (4)0.074 (5)0.041 (4)0.010 (3)0.017 (3)0.005 (3)
C2060.033 (3)0.049 (3)0.030 (3)0.004 (3)0.007 (3)0.005 (3)
C2110.033 (3)0.019 (2)0.023 (3)0.000 (2)0.004 (2)0.008 (2)
C2120.034 (3)0.024 (3)0.030 (3)0.004 (2)0.010 (2)0.001 (2)
C2130.052 (4)0.031 (3)0.035 (3)0.012 (3)0.009 (3)0.001 (3)
C2140.088 (5)0.022 (3)0.034 (3)0.008 (3)0.005 (3)0.010 (3)
C2150.066 (5)0.032 (3)0.046 (4)0.014 (3)0.008 (3)0.008 (3)
C2160.044 (4)0.029 (3)0.038 (3)0.004 (2)0.005 (3)0.010 (3)
C2210.018 (2)0.025 (2)0.018 (2)0.0025 (19)0.0038 (19)0.001 (2)
C2220.019 (3)0.026 (3)0.034 (3)0.002 (2)0.001 (2)0.001 (2)
C2230.024 (3)0.036 (3)0.033 (3)0.001 (2)0.001 (2)0.003 (3)
C2240.029 (3)0.044 (3)0.024 (3)0.009 (2)0.005 (2)0.002 (3)
C2250.028 (3)0.040 (3)0.031 (3)0.004 (2)0.006 (2)0.009 (3)
C2260.024 (3)0.031 (3)0.031 (3)0.000 (2)0.003 (2)0.005 (2)
C3010.013 (2)0.026 (2)0.026 (3)0.0035 (19)0.001 (2)0.001 (2)
C3020.018 (3)0.025 (3)0.030 (3)0.001 (2)0.002 (2)0.002 (2)
C3030.022 (3)0.031 (3)0.041 (3)0.000 (2)0.004 (2)0.012 (3)
C3040.037 (3)0.019 (3)0.054 (4)0.001 (2)0.008 (3)0.004 (3)
C3050.049 (4)0.024 (3)0.041 (3)0.008 (3)0.002 (3)0.008 (3)
C3060.033 (3)0.028 (3)0.034 (3)0.005 (2)0.008 (3)0.001 (2)
C3110.020 (3)0.019 (2)0.033 (3)0.0054 (19)0.004 (2)0.006 (2)
C3120.025 (3)0.023 (3)0.043 (3)0.001 (2)0.002 (2)0.005 (2)
C3130.027 (3)0.030 (3)0.071 (5)0.003 (2)0.017 (3)0.018 (3)
C3140.047 (4)0.035 (3)0.054 (4)0.008 (3)0.031 (3)0.018 (3)
C3150.053 (4)0.029 (3)0.035 (3)0.010 (3)0.013 (3)0.007 (3)
C3160.028 (3)0.032 (3)0.035 (3)0.005 (2)0.008 (2)0.004 (3)
C3210.016 (2)0.024 (2)0.027 (3)0.006 (2)0.002 (2)0.001 (2)
C3220.019 (3)0.022 (2)0.036 (3)0.001 (2)0.001 (2)0.000 (2)
C3230.019 (3)0.030 (3)0.040 (3)0.000 (2)0.006 (2)0.008 (3)
C3240.026 (3)0.042 (3)0.033 (3)0.008 (2)0.008 (2)0.002 (3)
C3250.032 (3)0.041 (3)0.033 (3)0.003 (3)0.002 (3)0.011 (3)
C3260.017 (3)0.037 (3)0.032 (3)0.002 (2)0.001 (2)0.006 (3)
Geometric parameters (Å, º) top
Ru1—C101.880 (5)C201—C2061.377 (7)
Ru1—C111.921 (5)C201—C2021.384 (7)
Ru1—C121.959 (5)C202—C2031.378 (7)
Ru1—P12.3387 (13)C202—H20A0.9500
Ru1—Ru22.8623 (6)C203—C2041.375 (8)
Ru1—Ru32.8886 (7)C203—H20B0.9500
Ru2—C201.877 (5)C204—C2051.380 (8)
Ru2—C211.912 (5)C204—H20C0.9500
Ru2—C221.943 (5)C205—C2061.379 (7)
Ru2—P22.3304 (13)C205—H20D0.9500
Ru2—Ru32.8675 (7)C206—H20E0.9500
Ru3—C301.879 (5)C211—C2121.392 (7)
Ru3—C311.929 (5)C211—C2161.395 (7)
Ru3—C321.939 (5)C212—C2131.386 (7)
Ru3—P32.3511 (13)C212—H21A0.9500
P1—C1211.825 (5)C213—C2141.376 (8)
P1—C1111.836 (5)C213—H21B0.9500
P1—C1011.840 (5)C214—C2151.368 (9)
P2—C2011.831 (5)C214—H21C0.9500
P2—C2111.833 (5)C215—C2161.378 (7)
P2—C2211.834 (5)C215—H21D0.9500
P3—C3111.833 (5)C216—H21E0.9500
P3—C3211.839 (5)C221—C2221.391 (6)
P3—C3011.847 (5)C221—C2261.395 (6)
O10—C101.147 (6)C222—C2231.382 (6)
O11—C111.151 (5)C222—H22A0.9500
O12—C121.134 (5)C223—C2241.374 (7)
O20—C201.150 (6)C223—H22B0.9500
O21—C211.149 (6)C224—C2251.383 (7)
O22—C221.141 (6)C224—H22C0.9500
O30—C301.151 (6)C225—C2261.388 (7)
O31—C311.138 (6)C225—H22D0.9500
O32—C321.145 (5)C226—H22E0.9500
C101—C1021.395 (6)C301—C3021.384 (6)
C101—C1061.399 (6)C301—C3061.385 (6)
C102—C1031.385 (6)C302—C3031.381 (6)
C102—H10A0.9500C302—H30A0.9500
C103—C1041.379 (7)C303—C3041.372 (7)
C103—H10B0.9500C303—H30B0.9500
C104—C1051.377 (8)C304—C3051.376 (7)
C104—H10C0.9500C304—H30C0.9500
C105—C1061.398 (7)C305—C3061.387 (7)
C105—H10D0.9500C305—H30D0.9500
C106—H10E0.9500C306—H30E0.9500
C111—C1161.383 (6)C311—C3161.391 (7)
C111—C1121.399 (7)C311—C3121.401 (7)
C112—C1131.379 (7)C312—C3131.396 (7)
C112—H11A0.9500C312—H31A0.9500
C113—C1141.380 (7)C313—C3141.370 (8)
C113—H11B0.9500C313—H31B0.9500
C114—C1151.367 (8)C314—C3151.365 (8)
C114—H11C0.9500C314—H31C0.9500
C115—C1161.402 (7)C315—C3161.382 (7)
C115—H11D0.9500C315—H31D0.9500
C116—H11E0.9500C316—H31E0.9500
C121—C1261.396 (7)C321—C3261.386 (7)
C121—C1221.406 (7)C321—C3221.402 (6)
C122—C1231.375 (7)C322—C3231.383 (7)
C122—H12A0.9500C322—H32A0.9500
C123—C1241.381 (8)C323—C3241.396 (7)
C123—H12B0.9500C323—H32B0.9500
C124—C1251.371 (8)C324—C3251.365 (7)
C124—H12C0.9500C324—H32C0.9500
C125—C1261.383 (7)C325—C3261.400 (7)
C125—H12D0.9500C325—H32D0.9500
C126—H12E0.9500C326—H32E0.9500
C10—Ru1—C1193.6 (2)C125—C124—C123120.0 (5)
C10—Ru1—C1298.00 (19)C125—C124—H12C120.0
C11—Ru1—C12168.0 (2)C123—C124—H12C120.0
C10—Ru1—P195.53 (14)C124—C125—C126120.2 (5)
C11—Ru1—P191.40 (14)C124—C125—H12D119.9
C12—Ru1—P190.77 (14)C126—C125—H12D119.9
C10—Ru1—Ru298.07 (14)C125—C126—C121121.1 (5)
C11—Ru1—Ru294.87 (14)C125—C126—H12E119.5
C12—Ru1—Ru280.29 (13)C121—C126—H12E119.5
P1—Ru1—Ru2164.63 (4)C206—C201—C202117.9 (5)
C10—Ru1—Ru3151.29 (14)C206—C201—P2124.4 (4)
C11—Ru1—Ru372.19 (14)C202—C201—P2117.7 (4)
C12—Ru1—Ru395.93 (13)C203—C202—C201121.3 (5)
P1—Ru1—Ru3109.28 (4)C203—C202—H20A119.4
Ru2—Ru1—Ru359.815 (16)C201—C202—H20A119.4
C20—Ru2—C2193.0 (2)C204—C203—C202119.8 (6)
C20—Ru2—C22100.7 (2)C204—C203—H20B120.1
C21—Ru2—C22166.22 (19)C202—C203—H20B120.1
C20—Ru2—P295.42 (15)C203—C204—C205119.9 (6)
C21—Ru2—P293.89 (15)C203—C204—H20C120.0
C22—Ru2—P285.31 (14)C205—C204—H20C120.0
C20—Ru2—Ru1150.64 (15)C206—C205—C204119.4 (6)
C21—Ru2—Ru173.35 (14)C206—C205—H20D120.3
C22—Ru2—Ru194.07 (13)C204—C205—H20D120.3
P2—Ru2—Ru1111.06 (3)C201—C206—C205121.6 (5)
C20—Ru2—Ru396.70 (15)C201—C206—H20E119.2
C21—Ru2—Ru396.97 (15)C205—C206—H20E119.2
C22—Ru2—Ru381.11 (13)C212—C211—C216119.0 (4)
P2—Ru2—Ru3163.25 (4)C212—C211—P2122.1 (4)
Ru1—Ru2—Ru360.549 (16)C216—C211—P2118.9 (4)
C30—Ru3—C3188.5 (2)C213—C212—C211120.5 (5)
C30—Ru3—C3299.0 (2)C213—C212—H21A119.8
C31—Ru3—C32171.1 (2)C211—C212—H21A119.8
C30—Ru3—P396.66 (15)C214—C213—C212119.1 (6)
C31—Ru3—P394.17 (14)C214—C213—H21B120.4
C32—Ru3—P389.87 (14)C212—C213—H21B120.4
C30—Ru3—Ru2153.44 (16)C215—C214—C213121.2 (5)
C31—Ru3—Ru276.54 (15)C215—C214—H21C119.4
C32—Ru3—Ru294.69 (13)C213—C214—H21C119.4
P3—Ru3—Ru2106.10 (4)C214—C215—C216120.1 (6)
C30—Ru3—Ru1101.50 (15)C214—C215—H21D120.0
C31—Ru3—Ru196.88 (14)C216—C215—H21D120.0
C32—Ru3—Ru176.90 (13)C215—C216—C211120.1 (6)
P3—Ru3—Ru1158.94 (3)C215—C216—H21E120.0
Ru2—Ru3—Ru159.636 (17)C211—C216—H21E120.0
C121—P1—C111107.9 (2)C222—C221—C226118.2 (4)
C121—P1—C101102.5 (2)C222—C221—P2121.7 (4)
C111—P1—C101100.3 (2)C226—C221—P2119.7 (4)
C121—P1—Ru1114.03 (15)C223—C222—C221120.4 (5)
C111—P1—Ru1114.67 (15)C223—C222—H22A119.8
C101—P1—Ru1115.93 (16)C221—C222—H22A119.8
C201—P2—C211100.8 (2)C224—C223—C222120.9 (5)
C201—P2—C221106.4 (2)C224—C223—H22B119.5
C211—P2—C221101.0 (2)C222—C223—H22B119.5
C201—P2—Ru2116.67 (16)C223—C224—C225119.6 (5)
C211—P2—Ru2114.80 (17)C223—C224—H22C120.2
C221—P2—Ru2115.06 (15)C225—C224—H22C120.2
C311—P3—C321103.2 (2)C224—C225—C226119.8 (5)
C311—P3—C301103.8 (2)C224—C225—H22D120.1
C321—P3—C30199.0 (2)C226—C225—H22D120.1
C311—P3—Ru3114.26 (15)C225—C226—C221121.0 (5)
C321—P3—Ru3115.65 (16)C225—C226—H22E119.5
C301—P3—Ru3118.65 (15)C221—C226—H22E119.5
O10—C10—Ru1174.1 (4)C302—C301—C306118.4 (4)
O11—C11—Ru1172.0 (4)C302—C301—P3117.2 (3)
O12—C12—Ru1173.6 (4)C306—C301—P3124.4 (4)
O20—C20—Ru2174.0 (5)C303—C302—C301120.6 (5)
O21—C21—Ru2173.4 (4)C303—C302—H30A119.7
O22—C22—Ru2172.7 (4)C301—C302—H30A119.7
O30—C30—Ru3172.6 (4)C304—C303—C302120.9 (5)
O31—C31—Ru3172.7 (5)C304—C303—H30B119.5
O32—C32—Ru3173.9 (4)C302—C303—H30B119.5
C102—C101—C106118.6 (4)C303—C304—C305119.0 (5)
C102—C101—P1121.7 (4)C303—C304—H30C120.5
C106—C101—P1119.6 (4)C305—C304—H30C120.5
C103—C102—C101120.7 (5)C304—C305—C306120.6 (5)
C103—C102—H10A119.6C304—C305—H30D119.7
C101—C102—H10A119.6C306—C305—H30D119.7
C104—C103—C102119.8 (5)C301—C306—C305120.6 (5)
C104—C103—H10B120.1C301—C306—H30E119.7
C102—C103—H10B120.1C305—C306—H30E119.7
C105—C104—C103121.0 (5)C316—C311—C312118.1 (5)
C105—C104—H10C119.5C316—C311—P3120.0 (4)
C103—C104—H10C119.5C312—C311—P3121.8 (4)
C104—C105—C106119.3 (5)C313—C312—C311119.6 (5)
C104—C105—H10D120.3C313—C312—H31A120.2
C106—C105—H10D120.3C311—C312—H31A120.2
C105—C106—C101120.6 (5)C314—C313—C312121.1 (6)
C105—C106—H10E119.7C314—C313—H31B119.5
C101—C106—H10E119.7C312—C313—H31B119.5
C116—C111—C112117.9 (4)C315—C314—C313119.3 (5)
C116—C111—P1126.0 (4)C315—C314—H31C120.3
C112—C111—P1116.2 (4)C313—C314—H31C120.3
C113—C112—C111121.7 (5)C314—C315—C316121.0 (6)
C113—C112—H11A119.1C314—C315—H31D119.5
C111—C112—H11A119.1C316—C315—H31D119.5
C112—C113—C114119.7 (5)C315—C316—C311120.8 (5)
C112—C113—H11B120.2C315—C316—H31E119.6
C114—C113—H11B120.2C311—C316—H31E119.6
C115—C114—C113119.8 (5)C326—C321—C322118.4 (4)
C115—C114—H11C120.1C326—C321—P3121.9 (4)
C113—C114—H11C120.1C322—C321—P3119.7 (4)
C114—C115—C116120.8 (5)C323—C322—C321120.9 (5)
C114—C115—H11D119.6C323—C322—H32A119.5
C116—C115—H11D119.6C321—C322—H32A119.5
C111—C116—C115120.2 (5)C322—C323—C324119.9 (5)
C111—C116—H11E119.9C322—C323—H32B120.0
C115—C116—H11E119.9C324—C323—H32B120.0
C126—C121—C122117.5 (5)C325—C324—C323119.6 (5)
C126—C121—P1120.0 (4)C325—C324—H32C120.2
C122—C121—P1121.5 (4)C323—C324—H32C120.2
C123—C122—C121120.9 (5)C324—C325—C326120.8 (5)
C123—C122—H12A119.5C324—C325—H32D119.6
C121—C122—H12A119.5C326—C325—H32D119.6
C122—C123—C124120.3 (5)C321—C326—C325120.4 (5)
C122—C123—H12B119.9C321—C326—H32E119.8
C124—C123—H12B119.9C325—C326—H32E119.8
C10—Ru1—Ru2—C20117.4 (4)Ru1—Ru2—P2—C211154.41 (17)
C11—Ru1—Ru2—C2023.1 (4)Ru3—Ru2—P2—C21197.7 (2)
C12—Ru1—Ru2—C20145.8 (4)C20—Ru2—P2—C221155.1 (2)
P1—Ru1—Ru2—C2090.6 (4)C21—Ru2—P2—C221111.4 (2)
Ru3—Ru1—Ru2—C2043.1 (3)C22—Ru2—P2—C22154.8 (2)
C10—Ru1—Ru2—C2152.1 (2)Ru1—Ru2—P2—C22137.79 (17)
C11—Ru1—Ru2—C2142.2 (2)Ru3—Ru2—P2—C22118.9 (2)
C12—Ru1—Ru2—C21148.9 (2)C30—Ru3—P3—C31171.9 (2)
P1—Ru1—Ru2—C21155.9 (2)C31—Ru3—P3—C31117.0 (2)
Ru3—Ru1—Ru2—C21108.32 (15)C32—Ru3—P3—C311170.9 (2)
C10—Ru1—Ru2—C22122.15 (19)Ru2—Ru3—P3—C31194.23 (18)
C11—Ru1—Ru2—C22143.5 (2)Ru1—Ru3—P3—C311138.61 (18)
C12—Ru1—Ru2—C2225.36 (19)C30—Ru3—P3—C32147.7 (2)
P1—Ru1—Ru2—C2229.83 (18)C31—Ru3—P3—C321136.7 (2)
Ru3—Ru1—Ru2—C2277.40 (14)C32—Ru3—P3—C32151.3 (2)
C10—Ru1—Ru2—P235.62 (15)Ru2—Ru3—P3—C321146.15 (16)
C11—Ru1—Ru2—P2129.94 (15)Ru1—Ru3—P3—C321101.76 (18)
C12—Ru1—Ru2—P261.17 (14)C30—Ru3—P3—C301165.1 (2)
P1—Ru1—Ru2—P2116.37 (13)C31—Ru3—P3—C301106.0 (2)
Ru3—Ru1—Ru2—P2163.93 (4)C32—Ru3—P3—C30166.1 (2)
C10—Ru1—Ru2—Ru3160.44 (14)Ru2—Ru3—P3—C30128.77 (18)
C11—Ru1—Ru2—Ru366.13 (15)Ru1—Ru3—P3—C30115.6 (2)
C12—Ru1—Ru2—Ru3102.76 (14)C121—P1—C101—C102102.8 (4)
P1—Ru1—Ru2—Ru347.57 (13)C111—P1—C101—C102146.2 (4)
C20—Ru2—Ru3—C30111.2 (4)Ru1—P1—C101—C10222.1 (5)
C21—Ru2—Ru3—C3017.3 (3)C121—P1—C101—C10672.7 (4)
C22—Ru2—Ru3—C30148.9 (3)C111—P1—C101—C10638.4 (4)
P2—Ru2—Ru3—C30112.7 (3)Ru1—P1—C101—C106162.5 (3)
Ru1—Ru2—Ru3—C3049.1 (3)P1—C101—C102—C103174.2 (4)
C20—Ru2—Ru3—C3153.9 (2)P1—C101—C106—C105175.2 (4)
C21—Ru2—Ru3—C3140.1 (2)C121—P1—C111—C1160.1 (5)
C22—Ru2—Ru3—C31153.7 (2)C101—P1—C111—C116106.9 (4)
P2—Ru2—Ru3—C31170.08 (19)Ru1—P1—C111—C116128.1 (4)
Ru1—Ru2—Ru3—C31106.44 (15)C121—P1—C111—C112179.6 (4)
C20—Ru2—Ru3—C32127.9 (2)C101—P1—C111—C11273.6 (4)
C21—Ru2—Ru3—C32138.22 (19)Ru1—P1—C111—C11251.3 (4)
C22—Ru2—Ru3—C3228.00 (19)P1—C111—C112—C113178.4 (4)
P2—Ru2—Ru3—C328.19 (18)P1—C111—C116—C115177.6 (4)
Ru1—Ru2—Ru3—C3271.83 (13)C111—P1—C121—C126139.0 (4)
C20—Ru2—Ru3—P336.64 (16)C101—P1—C121—C12633.7 (4)
C21—Ru2—Ru3—P3130.55 (15)Ru1—P1—C121—C12692.4 (4)
C22—Ru2—Ru3—P363.23 (14)C111—P1—C121—C12252.6 (4)
P2—Ru2—Ru3—P399.42 (12)C101—P1—C121—C122158.0 (4)
Ru1—Ru2—Ru3—P3163.06 (4)Ru1—P1—C121—C12275.9 (4)
C20—Ru2—Ru3—Ru1160.30 (16)P1—C121—C122—C123168.8 (4)
C21—Ru2—Ru3—Ru166.39 (14)P1—C121—C126—C125167.5 (4)
C22—Ru2—Ru3—Ru199.84 (13)C211—P2—C201—C20699.4 (5)
P2—Ru2—Ru3—Ru163.64 (12)C221—P2—C201—C2065.7 (5)
C10—Ru1—Ru3—C30116.2 (3)Ru2—P2—C201—C206135.6 (4)
C11—Ru1—Ru3—C3053.0 (2)C211—P2—C201—C20280.8 (4)
C12—Ru1—Ru3—C30125.0 (2)C221—P2—C201—C202174.2 (4)
P1—Ru1—Ru3—C3032.13 (16)Ru2—P2—C201—C20244.2 (4)
Ru2—Ru1—Ru3—C30159.84 (15)P2—C201—C202—C203179.8 (4)
C10—Ru1—Ru3—C3126.4 (3)P2—C201—C206—C205179.5 (5)
C11—Ru1—Ru3—C3136.9 (2)C201—P2—C211—C212133.2 (4)
C12—Ru1—Ru3—C31145.1 (2)C221—P2—C211—C212117.5 (4)
P1—Ru1—Ru3—C31121.99 (15)Ru2—P2—C211—C2126.9 (5)
Ru2—Ru1—Ru3—C3169.98 (15)C201—P2—C211—C21649.3 (4)
C10—Ru1—Ru3—C32147.1 (3)C221—P2—C211—C21660.0 (4)
C11—Ru1—Ru3—C32149.6 (2)Ru2—P2—C211—C216175.6 (4)
C12—Ru1—Ru3—C3228.39 (19)P2—C211—C212—C213179.4 (4)
P1—Ru1—Ru3—C3264.52 (14)P2—C211—C216—C215178.3 (4)
Ru2—Ru1—Ru3—C32103.52 (13)C201—P2—C221—C22252.7 (4)
C10—Ru1—Ru3—P394.8 (3)C211—P2—C221—C222157.6 (4)
C11—Ru1—Ru3—P3158.02 (18)Ru2—P2—C221—C22278.2 (4)
C12—Ru1—Ru3—P323.97 (17)C201—P2—C221—C226134.2 (4)
P1—Ru1—Ru3—P3116.88 (10)C211—P2—C221—C22629.3 (4)
Ru2—Ru1—Ru3—P351.16 (10)Ru2—P2—C221—C22694.9 (4)
C10—Ru1—Ru3—Ru243.6 (3)P2—C221—C222—C223175.0 (4)
C11—Ru1—Ru3—Ru2106.86 (15)P2—C221—C226—C225175.0 (4)
C12—Ru1—Ru3—Ru275.13 (14)C311—P3—C301—C302161.8 (4)
P1—Ru1—Ru3—Ru2168.03 (4)C321—P3—C301—C30255.8 (4)
C10—Ru1—P1—C121157.4 (2)Ru3—P3—C301—C30270.1 (4)
C11—Ru1—P1—C121108.9 (2)C311—P3—C301—C30619.3 (5)
C12—Ru1—P1—C12159.3 (2)C321—P3—C301—C306125.4 (4)
Ru2—Ru1—P1—C1215.3 (2)Ru3—P3—C301—C306108.8 (4)
Ru3—Ru1—P1—C12137.26 (18)P3—C301—C302—C303178.9 (4)
C10—Ru1—P1—C11177.5 (2)P3—C301—C306—C305178.3 (4)
C11—Ru1—P1—C11116.2 (2)C321—P3—C311—C316169.1 (4)
C12—Ru1—P1—C111175.6 (2)C301—P3—C311—C31666.2 (4)
Ru2—Ru1—P1—C111130.32 (19)Ru3—P3—C311—C31664.5 (4)
Ru3—Ru1—P1—C11187.79 (17)C321—P3—C311—C31212.5 (4)
C10—Ru1—P1—C10138.7 (2)C301—P3—C311—C312115.4 (4)
C11—Ru1—P1—C101132.4 (2)Ru3—P3—C311—C312113.9 (4)
C12—Ru1—P1—C10159.4 (2)P3—C311—C312—C313179.5 (4)
Ru2—Ru1—P1—C101113.4 (2)P3—C311—C316—C315179.6 (4)
Ru3—Ru1—P1—C101155.96 (16)C311—P3—C321—C326117.7 (4)
C20—Ru2—P2—C20179.1 (2)C301—P3—C321—C326135.8 (4)
C21—Ru2—P2—C20114.3 (2)Ru3—P3—C321—C3267.9 (4)
C22—Ru2—P2—C201179.5 (2)C311—P3—C321—C32260.8 (4)
Ru1—Ru2—P2—C20187.96 (18)C301—P3—C321—C32245.8 (4)
Ru3—Ru2—P2—C201144.70 (19)Ru3—P3—C321—C322173.7 (3)
C20—Ru2—P2—C21138.5 (2)P3—C321—C322—C323179.1 (4)
C21—Ru2—P2—C211131.9 (2)P3—C321—C326—C325178.6 (4)
C22—Ru2—P2—C21161.8 (2)
 

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