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metal-organic compounds
The title compound, (C36H30NP2)[Ru8P(CO)22]·CHCl3 or [N(PPh3)2][Ru8(μ8-P)(CO)22]·CHCl3, comprises a square antiprismatic octaruthenium cluster anion with an interstitial phosphido ligand, two bridging carbonyl ligands, and 20 terminal carbonyl ligands, together with a disordered PPN cation and a disordered chloroform solvent molecule.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806034052/bm2003sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806034052/bm2003Isup2.hkl |
CCDC reference: 620672
Key indicators
- Single-crystal X-ray study
- T = 200 K
- Mean (C-C) = 0.010 Å
- Disorder in main residue
- R factor = 0.024
- wR factor = 0.023
- Data-to-parameter ratio = 12.0
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT432_ALERT_2_A Short Inter X...Y Contact C264 .. Cl30 .. 2.94 Ang.
Author Response: ... This corresponds to the disordered chloroform and a disordered phenyl ring of the cation. |
Alert level B PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) ....... 6
Author Response: ... These atoms correspond to the carbons of the disordered phenyl ring in the cation. It was not appropriate to refine them anisotropically. |
PLAT431_ALERT_2_B Short Inter HL..A Contact Cl2 .. O13 .. 2.94 Ang.
Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.430 From the CIF: _refine_ls_abs_structure_Flack_su 0.020 PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 0.43
Author Response: ... The space group is noncentrosymmetric, so the Flack parameter was refined. The final value of 0.43(2) suggests that the crystal is partially inversion twinned. The space group is not enantiomorphic, so the compound is present as a racemate within the crystal structure. |
PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 1 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for Cl1 PLAT243_ALERT_4_C High 'Solvent' Ueq as Compared to Neighbors for Cl2 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C151 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C150 PLAT301_ALERT_3_C Main Residue Disorder ......................... 6.00 Perc. PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 33.00 Perc. PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 10 PLAT432_ALERT_2_C Short Inter X...Y Contact C263 .. Cl30 .. 3.22 Ang.
Author Response: ... This corresponds to the disordered chloroform and a disordered phenyl ring of the cation. |
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 37 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3 C H Cl3
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.48 From the CIF: _reflns_number_total 15035 Count of symmetry unique reflns 7783 Completeness (_total/calc) 193.18% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 7252 Fraction of Friedel pairs measured 0.932 Are heavy atom types Z>Si present yes
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 1 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 3 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Computing details top
Data collection: COLLECT (Nonius, 1997); cell refinement: DENZO/SCALEPACK; data reduction: DENZO/SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: CRYSTALS (Betteridge et al., 2003); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: CRYSTALS.
Bis(triphenylphosphoranylidene)ammonium
docosacarbonyl(µ8-phosphido)octaruthenate chloroform solvate top
Crystal data top
(C36H30NP2)[Ru8P(CO)22]·CHCl3 | F(000) = 4064 |
Mr = 2113.73 | Dx = 2.106 Mg m−3 |
Orthorhombic, Pna21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2c -2n | Cell parameters from 86582 reflections |
a = 19.1786 (2) Å | θ = 3–27° |
b = 10.5448 (1) Å | µ = 2.03 mm−1 |
c = 32.9569 (4) Å | T = 200 K |
V = 6665.02 (12) Å3 | Plate, purple |
Z = 4 | 0.27 × 0.16 × 0.02 mm |
Data collection top
Nonius KappaCCD diffractometer | 10343 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.038 |
φ and ω scans | θmax = 27.5°, θmin = 2.7° |
Absorption correction: integration Gaussian integration (Coppens, 1970) | h = −24→24 |
Tmin = 0.644, Tmax = 0.959 | k = −13→13 |
78313 measured reflections | l = −42→42 |
15035 independent reflections |
Refinement top
Refinement on F | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.024 | w = [1-(Fo-Fc)2/36σ2(F)]2/[0.282To(x)-0.0449T1(x) + 0.108T2(x)]
where Ti are the Chebychev polynomials and x = Fc/Fmax (Prince, 1982; Watkin, 1994) |
wR(F2) = 0.023 | (Δ/σ)max = 0.04 |
S = 1.11 | Δρmax = 2.01 e Å−3 |
10343 reflections | Δρmin = −1.26 e Å−3 |
863 parameters | Absolute structure: Flack (1983); 7252 Friedel-pairs, partially inversion twinned |
55 restraints | Absolute structure parameter: 0.43 (2) |
Primary atom site location: structure-invariant direct methods |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ru1 | 0.58109 (2) | 0.34806 (4) | 0.38111 (2) | 0.0228 | |
Ru2 | 0.72026 (2) | 0.30847 (3) | 0.34410 (2) | 0.0218 | |
Ru3 | 0.69029 (2) | 0.48804 (4) | 0.27856 (2) | 0.0239 | |
Ru4 | 0.54775 (2) | 0.51566 (4) | 0.31261 (2) | 0.0244 | |
Ru5 | 0.69871 (2) | 0.46478 (4) | 0.41645 (2) | 0.0210 | |
Ru6 | 0.77666 (2) | 0.56439 (3) | 0.34669 (2) | 0.0211 | |
Ru7 | 0.65353 (2) | 0.71261 (4) | 0.31893 (2) | 0.0218 | |
Ru8 | 0.58002 (2) | 0.62498 (4) | 0.39116 (2) | 0.0213 | |
Cl1 | 0.84039 (13) | 1.4452 (3) | 0.54912 (7) | 0.0900 | |
Cl2 | 0.70832 (15) | 1.3188 (3) | 0.53787 (9) | 0.0944 | |
Cl30 | 0.7751 (6) | 1.3571 (11) | 0.6229 (3) | 0.1066 | 0.346 (7) |
Cl31 | 0.73525 (19) | 1.4472 (5) | 0.60991 (11) | 0.0775 | 0.654 (7) |
P1 | 0.65630 (6) | 0.50374 (11) | 0.34856 (5) | 0.0190 | |
P2 | 0.57473 (8) | 0.69788 (14) | 0.62483 (4) | 0.0278 | |
P3 | 0.62921 (8) | 0.89465 (14) | 0.56943 (5) | 0.0289 | |
O11 | 0.5701 (2) | 0.0626 (4) | 0.37292 (15) | 0.0458 | |
O12 | 0.4326 (2) | 0.3457 (5) | 0.41279 (18) | 0.0594 | |
O13 | 0.6169 (2) | 0.2796 (4) | 0.46740 (12) | 0.0446 | |
O21 | 0.6485 (2) | 0.1397 (4) | 0.28258 (13) | 0.0391 | |
O22 | 0.7383 (3) | 0.0997 (4) | 0.40780 (14) | 0.0498 | |
O23 | 0.8560 (2) | 0.2224 (5) | 0.30501 (17) | 0.0606 | |
O31 | 0.6177 (3) | 0.3738 (6) | 0.20645 (15) | 0.0660 | |
O32 | 0.8284 (3) | 0.4357 (5) | 0.23777 (16) | 0.0591 | |
O33 | 0.6924 (3) | 0.7341 (4) | 0.23016 (13) | 0.0483 | |
O41 | 0.5064 (2) | 0.2529 (4) | 0.28364 (16) | 0.0502 | |
O42 | 0.5167 (3) | 0.6420 (5) | 0.23112 (15) | 0.0561 | |
O43 | 0.3974 (2) | 0.5481 (5) | 0.34118 (19) | 0.0625 | |
O51 | 0.6876 (3) | 0.6189 (5) | 0.49331 (13) | 0.0530 | |
O52 | 0.8238 (2) | 0.3291 (4) | 0.45283 (13) | 0.0420 | |
O61 | 0.8090 (2) | 0.7481 (5) | 0.41465 (15) | 0.0558 | |
O62 | 0.9085 (2) | 0.4224 (4) | 0.36973 (15) | 0.0486 | |
O63 | 0.8586 (2) | 0.7188 (5) | 0.28449 (14) | 0.0517 | |
O71 | 0.7472 (2) | 0.9400 (4) | 0.32877 (14) | 0.0472 | |
O72 | 0.5385 (3) | 0.8947 (4) | 0.29406 (14) | 0.0479 | |
O81 | 0.6568 (2) | 0.8527 (4) | 0.42471 (14) | 0.0476 | |
O82 | 0.4591 (2) | 0.8047 (4) | 0.37474 (15) | 0.0491 | |
O83 | 0.5157 (2) | 0.5487 (4) | 0.47208 (13) | 0.0463 | |
N1 | 0.6189 (2) | 0.7594 (4) | 0.58935 (13) | 0.0302 | |
C11 | 0.5750 (3) | 0.1710 (5) | 0.37565 (18) | 0.0322 | |
C12 | 0.4882 (3) | 0.3484 (5) | 0.4008 (2) | 0.0381 | |
C13 | 0.6273 (3) | 0.3357 (5) | 0.43734 (17) | 0.0283 | |
C21 | 0.6736 (3) | 0.2074 (5) | 0.30504 (17) | 0.0314 | |
C22 | 0.7317 (3) | 0.1798 (5) | 0.38471 (17) | 0.0313 | |
C23 | 0.8067 (3) | 0.2620 (5) | 0.3198 (2) | 0.0383 | |
C31 | 0.6431 (3) | 0.4182 (6) | 0.23401 (18) | 0.0382 | |
C32 | 0.7764 (4) | 0.4571 (6) | 0.25343 (19) | 0.0403 | |
C33 | 0.6839 (3) | 0.6763 (5) | 0.26035 (18) | 0.0309 | |
C41 | 0.5244 (3) | 0.3487 (6) | 0.2975 (2) | 0.0433 | |
C42 | 0.5292 (3) | 0.5958 (6) | 0.2618 (2) | 0.0403 | |
C43 | 0.4544 (3) | 0.5402 (6) | 0.3313 (2) | 0.0420 | |
C51 | 0.6914 (3) | 0.5624 (6) | 0.46334 (19) | 0.0359 | |
C52 | 0.7768 (3) | 0.3805 (5) | 0.43846 (17) | 0.0298 | |
C61 | 0.7940 (3) | 0.6762 (6) | 0.3907 (2) | 0.0369 | |
C62 | 0.8576 (3) | 0.4705 (6) | 0.36065 (18) | 0.0326 | |
C63 | 0.8261 (3) | 0.6615 (5) | 0.30695 (19) | 0.0331 | |
C71 | 0.7134 (3) | 0.8511 (5) | 0.32576 (17) | 0.0285 | |
C72 | 0.5813 (3) | 0.8253 (6) | 0.30404 (17) | 0.0337 | |
C81 | 0.6302 (3) | 0.7679 (5) | 0.41064 (18) | 0.0327 | |
C82 | 0.5047 (3) | 0.7344 (5) | 0.37895 (19) | 0.0354 | |
C83 | 0.5407 (3) | 0.5737 (5) | 0.44134 (19) | 0.0330 | |
C101 | 0.5632 (3) | 0.9298 (5) | 0.53255 (16) | 0.0289 | |
C102 | 0.5237 (3) | 0.8303 (6) | 0.51620 (18) | 0.0349 | |
C103 | 0.4753 (3) | 0.8534 (6) | 0.48634 (19) | 0.0408 | |
C104 | 0.4648 (4) | 0.9753 (7) | 0.4725 (2) | 0.0457 | |
C105 | 0.5034 (4) | 1.0749 (7) | 0.4882 (2) | 0.0493 | |
C106 | 0.5516 (3) | 1.0521 (6) | 0.5179 (2) | 0.0384 | |
C107 | 0.7131 (3) | 0.8944 (6) | 0.54448 (18) | 0.0360 | |
C108 | 0.7632 (3) | 0.8079 (7) | 0.5551 (2) | 0.0463 | |
C109 | 0.8296 (4) | 0.8163 (8) | 0.5396 (2) | 0.0586 | |
C110 | 0.8454 (4) | 0.9117 (9) | 0.5121 (3) | 0.0656 | |
C111 | 0.7955 (4) | 0.9935 (9) | 0.4997 (3) | 0.0646 | |
C112 | 0.7285 (4) | 0.9865 (7) | 0.5152 (2) | 0.0516 | |
C119 | 0.5268 (3) | 0.5651 (6) | 0.60490 (17) | 0.0318 | |
C120 | 0.4667 (4) | 0.5214 (7) | 0.6242 (2) | 0.0490 | |
C121 | 0.4322 (5) | 0.4145 (8) | 0.6089 (3) | 0.0644 | |
C122 | 0.4569 (5) | 0.3560 (7) | 0.5746 (2) | 0.0603 | |
C123 | 0.5160 (4) | 0.3988 (7) | 0.5560 (2) | 0.0526 | |
C124 | 0.5515 (3) | 0.5040 (6) | 0.57057 (17) | 0.0359 | |
C125 | 0.5144 (3) | 0.8015 (6) | 0.64963 (16) | 0.0325 | |
C126 | 0.4539 (4) | 0.8411 (8) | 0.6290 (2) | 0.0532 | |
C127 | 0.4097 (4) | 0.9276 (9) | 0.6473 (2) | 0.0661 | |
C128 | 0.4242 (5) | 0.9753 (8) | 0.6850 (3) | 0.0642 | |
C129 | 0.4835 (4) | 0.9368 (7) | 0.7053 (2) | 0.0532 | |
C130 | 0.5277 (4) | 0.8486 (6) | 0.68794 (18) | 0.0385 | |
C131 | 0.6320 (3) | 0.6380 (5) | 0.66378 (16) | 0.0292 | |
C132 | 0.6083 (4) | 0.5446 (6) | 0.69023 (19) | 0.0447 | |
C133 | 0.6511 (4) | 0.5021 (7) | 0.7211 (2) | 0.0552 | |
C134 | 0.7178 (4) | 0.5486 (7) | 0.7253 (2) | 0.0530 | |
C135 | 0.7410 (4) | 0.6404 (7) | 0.6990 (2) | 0.0483 | |
C136 | 0.6987 (3) | 0.6867 (6) | 0.6684 (2) | 0.0394 | |
C150 | 0.7585 (8) | 1.4217 (18) | 0.5713 (4) | 0.069 (3)* | 0.346 (7) |
C151 | 0.7728 (6) | 1.3483 (12) | 0.5719 (3) | 0.069 (3)* | 0.654 (7) |
C250 | 0.6215 (6) | 1.0211 (9) | 0.6066 (3) | 0.0278 (16)* | 0.455 (9) |
C251 | 0.5600 (7) | 1.0855 (10) | 0.6149 (4) | 0.042 (2)* | 0.455 (9) |
C252 | 0.5571 (8) | 1.1704 (11) | 0.6469 (4) | 0.051 (3)* | 0.455 (9) |
C253 | 0.6174 (8) | 1.1889 (10) | 0.6706 (4) | 0.050 (3)* | 0.455 (9) |
C254 | 0.6786 (7) | 1.1252 (11) | 0.6627 (3) | 0.047 (2)* | 0.455 (9) |
C255 | 0.6802 (7) | 1.0415 (10) | 0.6305 (3) | 0.0351 (19)* | 0.455 (9) |
C260 | 0.6426 (5) | 1.0216 (8) | 0.6051 (3) | 0.0278 (16)* | 0.545 (9) |
C261 | 0.5849 (6) | 1.0946 (9) | 0.6178 (3) | 0.042 (2)* | 0.545 (9) |
C262 | 0.5914 (7) | 1.1816 (10) | 0.6498 (3) | 0.051 (3)* | 0.545 (9) |
C263 | 0.6557 (7) | 1.1943 (10) | 0.6680 (3) | 0.050 (3)* | 0.545 (9) |
C264 | 0.7122 (6) | 1.1241 (9) | 0.6553 (3) | 0.047 (2)* | 0.545 (9) |
C265 | 0.7063 (6) | 1.0370 (9) | 0.6240 (3) | 0.0351 (19)* | 0.545 (9) |
H1021 | 0.5308 | 0.7419 | 0.52634 | 0.0418* | |
H1031 | 0.4476 | 0.7817 | 0.47467 | 0.0490* | |
H1041 | 0.4292 | 0.9919 | 0.4509 | 0.0549* | |
H1051 | 0.4959 | 1.1631 | 0.4780 | 0.0592* | |
H1061 | 0.5792 | 1.1244 | 0.5292 | 0.0461* | |
H1081 | 0.7513 | 0.7378 | 0.5744 | 0.0556* | |
H1091 | 0.8662 | 0.7542 | 0.5481 | 0.0703* | |
H1101 | 0.8940 | 0.9200 | 0.5014 | 0.0787* | |
H1111 | 0.8071 | 1.0599 | 0.4792 | 0.0774* | |
H1121 | 0.6916 | 1.0464 | 0.5056 | 0.0619* | |
H1201 | 0.4484 | 0.5661 | 0.6487 | 0.0588* | |
H1211 | 0.3899 | 0.3809 | 0.6230 | 0.0773* | |
H1221 | 0.4314 | 0.2814 | 0.5631 | 0.0723* | |
H1231 | 0.5340 | 0.3537 | 0.5315 | 0.0631* | |
H1241 | 0.5943 | 0.5352 | 0.55648 | 0.0431* | |
H1261 | 0.4430 | 0.8071 | 0.6014 | 0.0639* | |
H1271 | 0.3666 | 0.9557 | 0.6328 | 0.0793* | |
H1281 | 0.3919 | 1.0381 | 0.6978 | 0.0771* | |
H1291 | 0.4944 | 0.9727 | 0.7327 | 0.0638* | |
H1301 | 0.5697 | 0.8187 | 0.70322 | 0.0462* | |
H1321 | 0.5605 | 0.5083 | 0.68688 | 0.0536* | |
H1331 | 0.6334 | 0.4368 | 0.7406 | 0.0662* | |
H1341 | 0.7490 | 0.5162 | 0.7473 | 0.0635* | |
H1351 | 0.7894 | 0.6743 | 0.7019 | 0.0581* | |
H1361 | 0.7161 | 0.7547 | 0.6498 | 0.0472* | |
H1501 | 0.7341 | 1.5053 | 0.5738 | 0.0830* | 0.3458 |
H1511 | 0.7921 | 1.2683 | 0.5837 | 0.0830* | 0.6542 |
H2511 | 0.5178 | 1.0706 | 0.5978 | 0.0503* | 0.455 |
H2521 | 0.5131 | 1.2175 | 0.6531 | 0.0615* | 0.455 |
H2531 | 0.6157 | 1.2501 | 0.6937 | 0.0595* | 0.455 |
H2541 | 0.7209 | 1.1394 | 0.6798 | 0.0566* | 0.455 |
H2551 | 0.7243 | 0.9947 | 0.6242 | 0.0421* | 0.455 |
H2611 | 0.5390 | 1.0842 | 0.6039 | 0.0503* | 0.545 |
H2621 | 0.5506 | 1.2330 | 0.6590 | 0.0615* | 0.545 |
H2631 | 0.6615 | 1.2555 | 0.6910 | 0.0595* | 0.545 |
H2641 | 0.7583 | 1.1361 | 0.6689 | 0.0566* | 0.545 |
H2651 | 0.7475 | 0.9860 | 0.6151 | 0.0421* | 0.545 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Ru1 | 0.0188 (2) | 0.01968 (19) | 0.0300 (2) | −0.00310 (16) | 0.00191 (18) | 0.00069 (17) |
Ru2 | 0.02051 (18) | 0.01767 (18) | 0.0273 (2) | 0.00185 (15) | 0.00015 (19) | −0.00125 (18) |
Ru3 | 0.0258 (2) | 0.0251 (2) | 0.0208 (2) | 0.00260 (18) | 0.00033 (18) | −0.00194 (17) |
Ru4 | 0.01974 (19) | 0.0244 (2) | 0.0291 (2) | 0.00095 (17) | −0.00540 (17) | −0.00240 (19) |
Ru5 | 0.02066 (19) | 0.02091 (19) | 0.02142 (19) | −0.00074 (16) | −0.00036 (17) | 0.00077 (16) |
Ru6 | 0.01672 (17) | 0.02120 (18) | 0.02526 (18) | −0.00188 (14) | 0.00038 (18) | 0.00141 (19) |
Ru7 | 0.02266 (19) | 0.01865 (19) | 0.0241 (2) | 0.00135 (16) | −0.00021 (17) | 0.00207 (16) |
Ru8 | 0.0195 (2) | 0.01918 (18) | 0.0253 (2) | 0.00195 (16) | 0.00251 (17) | −0.00183 (17) |
Cl1 | 0.0619 (13) | 0.142 (2) | 0.0663 (14) | −0.0132 (15) | 0.0080 (11) | −0.0074 (15) |
Cl2 | 0.099 (2) | 0.0900 (18) | 0.0939 (18) | −0.0240 (16) | −0.0056 (15) | −0.0055 (15) |
Cl30 | 0.109 (6) | 0.119 (6) | 0.092 (5) | −0.059 (5) | 0.026 (5) | −0.021 (5) |
Cl31 | 0.059 (2) | 0.105 (3) | 0.069 (2) | −0.016 (2) | 0.0175 (17) | −0.039 (2) |
P1 | 0.0163 (5) | 0.0186 (6) | 0.0221 (6) | 0.0003 (4) | 0.0009 (6) | 0.0003 (6) |
P2 | 0.0305 (7) | 0.0291 (7) | 0.0238 (7) | 0.0001 (6) | 0.0012 (6) | 0.0025 (6) |
P3 | 0.0368 (8) | 0.0256 (7) | 0.0244 (7) | −0.0017 (6) | 0.0009 (6) | 0.0002 (6) |
O11 | 0.045 (3) | 0.020 (2) | 0.073 (3) | −0.0063 (18) | 0.006 (2) | −0.006 (2) |
O12 | 0.027 (2) | 0.049 (3) | 0.102 (4) | −0.004 (2) | 0.026 (3) | −0.006 (3) |
O13 | 0.053 (3) | 0.051 (3) | 0.029 (2) | −0.018 (2) | 0.000 (2) | 0.014 (2) |
O21 | 0.042 (2) | 0.033 (2) | 0.042 (2) | 0.0010 (19) | −0.009 (2) | −0.015 (2) |
O22 | 0.069 (3) | 0.029 (2) | 0.051 (3) | 0.003 (2) | −0.011 (2) | 0.010 (2) |
O23 | 0.033 (3) | 0.059 (3) | 0.089 (4) | 0.001 (2) | 0.014 (3) | −0.026 (3) |
O31 | 0.085 (4) | 0.075 (4) | 0.039 (3) | 0.012 (3) | −0.032 (3) | −0.021 (3) |
O32 | 0.042 (3) | 0.072 (4) | 0.064 (3) | 0.004 (3) | 0.026 (2) | −0.007 (3) |
O33 | 0.072 (3) | 0.041 (2) | 0.032 (2) | 0.004 (2) | 0.015 (2) | 0.010 (2) |
O41 | 0.037 (2) | 0.039 (3) | 0.075 (3) | −0.003 (2) | −0.008 (2) | −0.019 (2) |
O42 | 0.061 (3) | 0.062 (3) | 0.044 (3) | −0.004 (3) | −0.020 (2) | 0.016 (3) |
O43 | 0.025 (2) | 0.068 (3) | 0.095 (4) | 0.007 (2) | −0.002 (3) | −0.013 (3) |
O51 | 0.071 (3) | 0.050 (3) | 0.037 (2) | 0.015 (3) | −0.008 (2) | −0.023 (2) |
O52 | 0.033 (2) | 0.047 (3) | 0.046 (3) | 0.011 (2) | −0.0135 (19) | 0.001 (2) |
O61 | 0.047 (3) | 0.067 (3) | 0.053 (3) | −0.015 (3) | 0.002 (2) | −0.029 (3) |
O62 | 0.026 (2) | 0.037 (2) | 0.082 (4) | 0.0052 (19) | −0.015 (2) | 0.004 (2) |
O63 | 0.050 (3) | 0.051 (3) | 0.055 (3) | −0.012 (2) | 0.020 (2) | 0.014 (2) |
O71 | 0.040 (2) | 0.025 (2) | 0.077 (3) | −0.0063 (18) | −0.006 (2) | −0.001 (2) |
O72 | 0.046 (3) | 0.039 (2) | 0.059 (3) | 0.015 (2) | −0.013 (2) | 0.012 (2) |
O81 | 0.054 (3) | 0.029 (2) | 0.059 (3) | −0.012 (2) | −0.007 (2) | −0.009 (2) |
O82 | 0.039 (2) | 0.043 (2) | 0.066 (3) | 0.021 (2) | −0.003 (2) | −0.004 (2) |
O83 | 0.056 (3) | 0.043 (3) | 0.040 (2) | 0.004 (2) | 0.024 (2) | −0.002 (2) |
N1 | 0.035 (3) | 0.028 (2) | 0.028 (2) | −0.002 (2) | 0.003 (2) | 0.009 (2) |
C11 | 0.026 (3) | 0.036 (3) | 0.034 (3) | 0.000 (2) | 0.005 (2) | 0.001 (2) |
C12 | 0.038 (4) | 0.022 (3) | 0.054 (4) | −0.002 (3) | −0.002 (3) | −0.001 (3) |
C13 | 0.029 (3) | 0.025 (3) | 0.031 (3) | 0.002 (2) | 0.005 (2) | −0.003 (2) |
C21 | 0.028 (3) | 0.029 (3) | 0.037 (3) | 0.011 (2) | 0.002 (2) | 0.000 (3) |
C22 | 0.033 (3) | 0.027 (3) | 0.034 (3) | −0.002 (2) | −0.005 (2) | −0.007 (3) |
C23 | 0.033 (3) | 0.031 (3) | 0.051 (4) | 0.000 (3) | 0.005 (3) | −0.004 (3) |
C31 | 0.044 (4) | 0.040 (3) | 0.031 (3) | 0.014 (3) | −0.003 (3) | 0.001 (3) |
C32 | 0.046 (4) | 0.036 (3) | 0.039 (3) | 0.000 (3) | 0.003 (3) | −0.007 (3) |
C33 | 0.026 (3) | 0.027 (3) | 0.040 (3) | 0.009 (2) | 0.000 (2) | 0.000 (2) |
C41 | 0.033 (3) | 0.038 (4) | 0.059 (4) | 0.004 (3) | 0.001 (3) | −0.006 (3) |
C42 | 0.028 (3) | 0.041 (4) | 0.052 (4) | −0.009 (3) | −0.012 (3) | −0.005 (3) |
C43 | 0.034 (3) | 0.034 (3) | 0.058 (4) | 0.004 (3) | −0.015 (3) | −0.006 (3) |
C51 | 0.036 (3) | 0.033 (3) | 0.039 (3) | 0.006 (3) | −0.003 (3) | 0.006 (3) |
C52 | 0.033 (3) | 0.028 (3) | 0.029 (3) | 0.000 (3) | −0.001 (3) | −0.001 (2) |
C61 | 0.025 (3) | 0.041 (3) | 0.044 (4) | −0.001 (2) | 0.001 (3) | −0.007 (3) |
C62 | 0.019 (3) | 0.034 (3) | 0.045 (3) | −0.004 (2) | −0.005 (2) | −0.002 (3) |
C63 | 0.035 (3) | 0.026 (3) | 0.039 (3) | 0.001 (2) | 0.001 (3) | 0.005 (2) |
C71 | 0.027 (3) | 0.022 (3) | 0.036 (3) | 0.006 (2) | 0.000 (2) | 0.001 (2) |
C72 | 0.035 (3) | 0.033 (3) | 0.034 (3) | −0.007 (3) | −0.003 (3) | 0.001 (2) |
C81 | 0.033 (3) | 0.028 (3) | 0.037 (3) | 0.003 (2) | 0.000 (3) | 0.000 (3) |
C82 | 0.036 (3) | 0.032 (3) | 0.039 (3) | 0.003 (3) | 0.003 (3) | −0.004 (3) |
C83 | 0.034 (3) | 0.023 (3) | 0.042 (3) | 0.006 (2) | 0.007 (3) | −0.009 (3) |
C101 | 0.032 (3) | 0.028 (3) | 0.027 (3) | 0.001 (2) | 0.014 (2) | 0.006 (2) |
C102 | 0.041 (3) | 0.026 (3) | 0.038 (3) | 0.000 (3) | −0.001 (3) | 0.002 (2) |
C103 | 0.039 (3) | 0.044 (4) | 0.039 (4) | 0.000 (3) | −0.006 (3) | 0.001 (3) |
C104 | 0.042 (4) | 0.052 (4) | 0.044 (4) | 0.005 (3) | 0.000 (3) | 0.007 (3) |
C105 | 0.045 (4) | 0.048 (4) | 0.054 (4) | 0.000 (3) | −0.007 (3) | 0.024 (3) |
C106 | 0.038 (3) | 0.029 (3) | 0.048 (4) | −0.004 (3) | −0.006 (3) | 0.006 (3) |
C107 | 0.037 (3) | 0.037 (3) | 0.034 (3) | −0.010 (3) | −0.006 (3) | 0.000 (3) |
C108 | 0.041 (4) | 0.055 (4) | 0.043 (4) | 0.010 (3) | 0.007 (3) | 0.018 (3) |
C109 | 0.037 (4) | 0.074 (5) | 0.065 (5) | 0.008 (4) | 0.000 (3) | 0.012 (4) |
C110 | 0.035 (4) | 0.086 (6) | 0.075 (6) | −0.008 (4) | 0.010 (4) | 0.012 (5) |
C111 | 0.046 (4) | 0.081 (6) | 0.067 (5) | −0.007 (4) | 0.016 (4) | 0.026 (5) |
C112 | 0.049 (4) | 0.046 (4) | 0.060 (4) | −0.004 (3) | 0.009 (3) | 0.023 (3) |
C119 | 0.038 (3) | 0.030 (3) | 0.028 (3) | 0.001 (3) | 0.005 (2) | −0.001 (2) |
C120 | 0.044 (4) | 0.057 (5) | 0.046 (4) | −0.010 (4) | 0.012 (3) | −0.001 (3) |
C121 | 0.069 (6) | 0.061 (5) | 0.063 (5) | −0.030 (4) | 0.010 (4) | −0.003 (4) |
C122 | 0.075 (6) | 0.043 (4) | 0.063 (5) | −0.008 (4) | −0.004 (4) | −0.001 (4) |
C123 | 0.082 (6) | 0.036 (4) | 0.039 (4) | 0.000 (4) | −0.003 (4) | −0.006 (3) |
C124 | 0.045 (3) | 0.032 (3) | 0.030 (3) | −0.002 (3) | 0.004 (3) | 0.002 (2) |
C125 | 0.035 (3) | 0.040 (3) | 0.022 (3) | 0.004 (3) | 0.002 (2) | 0.000 (2) |
C126 | 0.052 (4) | 0.072 (5) | 0.035 (4) | 0.021 (4) | −0.009 (3) | 0.000 (3) |
C127 | 0.047 (4) | 0.090 (6) | 0.062 (5) | 0.032 (4) | −0.004 (4) | 0.003 (5) |
C128 | 0.066 (5) | 0.057 (5) | 0.069 (5) | 0.021 (4) | 0.026 (4) | −0.003 (4) |
C129 | 0.069 (5) | 0.043 (4) | 0.047 (4) | 0.008 (4) | 0.013 (4) | −0.007 (3) |
C130 | 0.045 (4) | 0.037 (3) | 0.034 (3) | 0.005 (3) | 0.000 (3) | 0.001 (3) |
C131 | 0.034 (3) | 0.031 (3) | 0.023 (3) | 0.000 (2) | −0.002 (2) | 0.007 (2) |
C132 | 0.056 (4) | 0.040 (4) | 0.039 (3) | −0.010 (3) | −0.011 (3) | 0.011 (3) |
C133 | 0.083 (5) | 0.038 (4) | 0.045 (4) | −0.016 (4) | −0.019 (4) | 0.012 (3) |
C134 | 0.073 (5) | 0.043 (4) | 0.043 (4) | 0.006 (4) | −0.025 (4) | 0.005 (3) |
C135 | 0.047 (4) | 0.051 (4) | 0.047 (4) | 0.005 (3) | −0.016 (3) | −0.002 (3) |
C136 | 0.033 (3) | 0.039 (3) | 0.046 (4) | 0.004 (3) | −0.003 (3) | 0.001 (3) |
Geometric parameters (Å, º) top
Ru1—Ru2 | 2.9643 (6) | O72—C72 | 1.147 (7) |
Ru1—Ru4 | 2.9375 (6) | O81—C81 | 1.129 (7) |
Ru1—Ru5 | 2.8215 (6) | O82—C82 | 1.155 (7) |
Ru1—Ru8 | 2.9389 (6) | O83—C83 | 1.151 (7) |
Ru1—P1 | 2.4346 (12) | C101—C102 | 1.402 (8) |
Ru1—C11 | 1.879 (6) | C101—C106 | 1.395 (8) |
Ru1—C12 | 1.896 (6) | C102—C103 | 1.375 (8) |
Ru1—C13 | 2.059 (6) | C102—H1021 | 1.000 |
Ru2—Ru3 | 2.9294 (6) | C103—C104 | 1.379 (9) |
Ru2—Ru5 | 2.9281 (6) | C103—H1031 | 1.000 |
Ru2—Ru6 | 2.9086 (5) | C104—C105 | 1.386 (10) |
Ru2—P1 | 2.4013 (12) | C104—H1041 | 1.000 |
Ru2—C21 | 1.895 (6) | C105—C106 | 1.367 (9) |
Ru2—C22 | 1.918 (6) | C105—H1051 | 1.000 |
Ru2—C23 | 1.905 (6) | C106—H1061 | 1.000 |
Ru3—Ru4 | 2.9695 (6) | C107—C108 | 1.370 (9) |
Ru3—Ru6 | 2.9041 (6) | C107—C112 | 1.401 (8) |
Ru3—Ru7 | 2.8064 (6) | C108—C109 | 1.375 (10) |
Ru3—P1 | 2.4031 (14) | C108—H1081 | 1.000 |
Ru3—C31 | 1.875 (6) | C109—C110 | 1.387 (11) |
Ru3—C32 | 1.876 (7) | C109—H1091 | 1.000 |
Ru3—C33 | 2.078 (6) | C110—C111 | 1.352 (11) |
Ru4—Ru7 | 2.9107 (6) | C110—H1101 | 1.000 |
Ru4—Ru8 | 2.9005 (6) | C111—C112 | 1.384 (10) |
Ru4—P1 | 2.3986 (13) | C111—H1111 | 1.000 |
Ru4—C41 | 1.884 (7) | C112—H1121 | 1.000 |
Ru4—C42 | 1.909 (7) | C119—C120 | 1.394 (9) |
Ru4—C43 | 1.911 (7) | C119—C124 | 1.385 (8) |
Ru5—Ru6 | 2.9367 (6) | C120—C121 | 1.400 (10) |
Ru5—Ru8 | 2.9547 (6) | C120—H1201 | 1.000 |
Ru5—P1 | 2.4160 (14) | C121—C122 | 1.372 (11) |
Ru5—C13 | 2.050 (6) | C121—H1211 | 1.000 |
Ru5—C51 | 1.862 (6) | C122—C123 | 1.366 (11) |
Ru5—C52 | 1.887 (6) | C122—H1221 | 1.000 |
Ru6—Ru7 | 2.9759 (6) | C123—C124 | 1.386 (9) |
Ru6—P1 | 2.3960 (12) | C123—H1231 | 1.000 |
Ru6—C61 | 1.899 (6) | C124—H1241 | 1.000 |
Ru6—C62 | 1.898 (6) | C125—C126 | 1.407 (9) |
Ru6—C63 | 1.914 (6) | C125—C130 | 1.381 (8) |
Ru7—Ru8 | 2.9168 (6) | C126—C127 | 1.383 (10) |
Ru7—P1 | 2.4098 (12) | C126—H1261 | 1.000 |
Ru7—C33 | 2.053 (6) | C127—C128 | 1.368 (11) |
Ru7—C71 | 1.871 (6) | C127—H1271 | 1.000 |
Ru7—C72 | 1.891 (6) | C128—C129 | 1.381 (12) |
Ru8—P1 | 2.3970 (13) | C128—H1281 | 1.000 |
Ru8—C81 | 1.900 (6) | C129—C130 | 1.383 (9) |
Ru8—C82 | 1.893 (6) | C129—H1291 | 1.000 |
Ru8—C83 | 1.896 (6) | C130—H1301 | 1.000 |
Cl1—C150 | 1.751 (15) | C131—C132 | 1.392 (8) |
Cl1—C151 | 1.814 (11) | C131—C136 | 1.387 (8) |
Cl2—C150 | 1.821 (14) | C132—C133 | 1.383 (9) |
Cl2—C151 | 1.698 (11) | C132—H1321 | 1.000 |
Cl30—C150 | 1.859 (15) | C133—C134 | 1.377 (11) |
Cl30—C151 | 1.684 (14) | C133—H1331 | 1.000 |
Cl30—H1511 | 1.630 | C134—C135 | 1.375 (10) |
Cl31—C150 | 1.374 (15) | C134—H1341 | 1.000 |
Cl31—C151 | 1.782 (11) | C135—C136 | 1.381 (9) |
Cl31—H1501 | 1.339 | C135—H1351 | 1.000 |
P2—N1 | 1.583 (5) | C136—H1361 | 1.000 |
P2—C119 | 1.799 (6) | C150—H1501 | 1.000 |
P2—C125 | 1.789 (6) | C151—H1511 | 1.000 |
P2—C131 | 1.804 (5) | C250—C251 | 1.388 (14) |
P3—N1 | 1.582 (5) | C250—C255 | 1.390 (13) |
P3—C101 | 1.794 (6) | C251—C252 | 1.385 (14) |
P3—C107 | 1.807 (6) | C251—H2511 | 1.000 |
P3—C250 | 1.817 (12) | C252—C253 | 1.408 (15) |
P3—C260 | 1.799 (10) | C252—H2521 | 1.000 |
O11—C11 | 1.151 (7) | C253—C254 | 1.377 (14) |
O12—C12 | 1.138 (7) | C253—H2531 | 1.000 |
O13—C13 | 1.171 (7) | C254—C255 | 1.381 (14) |
O21—C21 | 1.136 (7) | C254—H2541 | 1.000 |
O22—C22 | 1.144 (7) | C255—H2551 | 1.000 |
O23—C23 | 1.143 (7) | C260—C261 | 1.412 (12) |
O31—C31 | 1.133 (7) | C260—C265 | 1.380 (12) |
O32—C32 | 1.145 (8) | C261—C262 | 1.402 (13) |
O33—C33 | 1.178 (7) | C261—H2611 | 1.000 |
O41—C41 | 1.161 (7) | C262—C263 | 1.379 (13) |
O42—C42 | 1.147 (8) | C262—H2621 | 1.000 |
O43—C43 | 1.144 (7) | C263—C264 | 1.378 (13) |
O51—C51 | 1.156 (7) | C263—H2531 | 1.285 |
O52—C52 | 1.153 (7) | C263—H2631 | 1.000 |
O61—C61 | 1.132 (7) | C264—C265 | 1.386 (13) |
O62—C62 | 1.140 (7) | C264—H2641 | 1.000 |
O63—C63 | 1.141 (7) | C265—H2651 | 1.000 |
O71—C71 | 1.144 (6) | ||
Ru2—Ru1—Ru4 | 87.961 (16) | Ru4—Ru8—C83 | 125.46 (17) |
Ru2—Ru1—Ru5 | 60.748 (15) | P1—Ru8—C83 | 126.98 (17) |
Ru4—Ru1—Ru5 | 103.225 (16) | C81—Ru8—C82 | 88.6 (2) |
Ru2—Ru1—Ru8 | 101.102 (17) | C81—Ru8—C83 | 97.6 (2) |
Ru4—Ru1—Ru8 | 59.153 (14) | C82—Ru8—C83 | 93.2 (3) |
Ru5—Ru1—Ru8 | 61.680 (14) | C150—Cl30—H1511 | 61.3 |
Ru2—Ru1—P1 | 51.69 (3) | C151—Cl31—H1501 | 69.4 |
Ru4—Ru1—P1 | 52.02 (3) | Ru1—P1—Ru5 | 71.14 (4) |
Ru5—Ru1—P1 | 54.12 (3) | Ru1—P1—Ru7 | 141.43 (5) |
Ru8—Ru1—P1 | 51.96 (3) | Ru5—P1—Ru7 | 122.55 (5) |
Ru2—Ru1—C11 | 82.91 (17) | Ru1—P1—Ru3 | 122.50 (5) |
Ru4—Ru1—C11 | 120.71 (18) | Ru5—P1—Ru3 | 141.82 (5) |
Ru5—Ru1—C11 | 121.50 (18) | Ru7—P1—Ru3 | 71.34 (4) |
Ru8—Ru1—C11 | 175.93 (17) | Ru1—P1—Ru2 | 75.61 (4) |
P1—Ru1—C11 | 131.64 (17) | Ru5—P1—Ru2 | 74.87 (4) |
Ru2—Ru1—C12 | 170.83 (18) | Ru7—P1—Ru2 | 140.37 (6) |
Ru4—Ru1—C12 | 93.29 (19) | Ru3—P1—Ru2 | 75.14 (4) |
Ru5—Ru1—C12 | 127.51 (19) | Ru1—P1—Ru4 | 74.85 (4) |
Ru8—Ru1—C12 | 87.29 (17) | Ru5—P1—Ru4 | 139.34 (6) |
P1—Ru1—C12 | 134.93 (18) | Ru7—P1—Ru4 | 74.51 (4) |
Ru2—Ru1—C13 | 88.49 (15) | Ru3—P1—Ru4 | 76.40 (4) |
Ru4—Ru1—C13 | 145.46 (15) | Ru2—P1—Ru4 | 117.26 (5) |
Ru5—Ru1—C13 | 46.50 (15) | Ru1—P1—Ru8 | 74.92 (4) |
Ru8—Ru1—C13 | 87.97 (15) | Ru5—P1—Ru8 | 75.74 (4) |
P1—Ru1—C13 | 100.61 (16) | Ru7—P1—Ru8 | 74.72 (4) |
C11—Ru1—C12 | 88.7 (2) | Ru3—P1—Ru8 | 139.87 (6) |
C11—Ru1—C13 | 92.9 (2) | Ru2—P1—Ru8 | 143.61 (6) |
C12—Ru1—C13 | 95.5 (2) | Ru1—P1—Ru6 | 139.65 (6) |
Ru1—Ru2—Ru3 | 92.049 (16) | Ru5—P1—Ru6 | 75.22 (4) |
Ru1—Ru2—Ru5 | 57.214 (14) | Ru7—P1—Ru6 | 76.52 (4) |
Ru3—Ru2—Ru5 | 102.059 (16) | Ru3—P1—Ru6 | 74.48 (4) |
Ru1—Ru2—Ru6 | 101.076 (16) | Ru2—P1—Ru6 | 74.64 (3) |
Ru3—Ru2—Ru6 | 59.661 (14) | Ru4—P1—Ru8 | 74.43 (3) |
Ru5—Ru2—Ru6 | 60.415 (14) | Ru4—P1—Ru6 | 144.04 (6) |
Ru1—Ru2—P1 | 52.70 (3) | Ru8—P1—Ru6 | 117.43 (5) |
Ru3—Ru2—P1 | 52.46 (3) | N1—P2—C119 | 108.8 (3) |
Ru5—Ru2—P1 | 52.79 (4) | N1—P2—C125 | 115.7 (3) |
Ru6—Ru2—P1 | 52.60 (3) | C119—P2—C125 | 108.1 (3) |
Ru1—Ru2—C21 | 86.19 (16) | N1—P2—C131 | 110.1 (3) |
Ru3—Ru2—C21 | 76.70 (17) | C119—P2—C131 | 107.4 (3) |
Ru5—Ru2—C21 | 143.40 (16) | C125—P2—C131 | 106.4 (3) |
Ru6—Ru2—C21 | 135.81 (17) | N1—P3—C101 | 112.3 (3) |
P1—Ru2—C21 | 106.40 (16) | N1—P3—C107 | 107.4 (3) |
Ru1—Ru2—C22 | 85.13 (17) | C101—P3—C107 | 108.7 (3) |
Ru3—Ru2—C22 | 173.72 (16) | N1—P3—C250 | 111.8 (3) |
Ru5—Ru2—C22 | 81.14 (16) | C101—P3—C250 | 104.4 (4) |
Ru6—Ru2—C22 | 126.38 (16) | C107—P3—C250 | 112.4 (4) |
P1—Ru2—C22 | 128.46 (17) | N1—P3—C260 | 114.7 (3) |
Ru1—Ru2—C23 | 173.07 (17) | C101—P3—C260 | 112.9 (4) |
Ru3—Ru2—C23 | 91.5 (2) | C107—P3—C260 | 99.9 (4) |
Ru5—Ru2—C23 | 127.63 (19) | P2—N1—P3 | 138.0 (3) |
Ru6—Ru2—C23 | 85.86 (17) | Ru1—C11—O11 | 178.5 (5) |
P1—Ru2—C23 | 133.69 (18) | Ru1—C12—O12 | 178.4 (5) |
C21—Ru2—C22 | 97.5 (2) | Ru1—C13—Ru5 | 86.7 (2) |
C21—Ru2—C23 | 88.9 (2) | Ru1—C13—O13 | 136.0 (5) |
C22—Ru2—C23 | 90.7 (3) | Ru5—C13—O13 | 137.2 (5) |
Ru2—Ru3—Ru4 | 88.013 (16) | Ru2—C21—O21 | 175.0 (5) |
Ru2—Ru3—Ru6 | 59.814 (14) | Ru2—C22—O22 | 177.4 (5) |
Ru4—Ru3—Ru6 | 101.867 (17) | Ru2—C23—O23 | 173.4 (5) |
Ru2—Ru3—Ru7 | 104.188 (19) | Ru3—C31—O31 | 176.6 (6) |
Ru4—Ru3—Ru7 | 60.443 (14) | Ru3—C32—O32 | 178.5 (6) |
Ru6—Ru3—Ru7 | 62.789 (14) | Ru3—C33—Ru7 | 85.6 (2) |
Ru2—Ru3—P1 | 52.40 (3) | Ru3—C33—O33 | 136.9 (5) |
Ru4—Ru3—P1 | 51.73 (3) | Ru7—C33—O33 | 137.5 (4) |
Ru6—Ru3—P1 | 52.65 (3) | Ru4—C41—O41 | 171.1 (6) |
Ru7—Ru3—P1 | 54.44 (3) | Ru4—C42—O42 | 178.4 (5) |
Ru2—Ru3—C31 | 114.71 (19) | Ru4—C43—O43 | 175.7 (6) |
Ru4—Ru3—C31 | 83.7 (2) | O51—C51—Ru5 | 177.3 (5) |
Ru6—Ru3—C31 | 171.65 (18) | Ru5—C52—O52 | 178.3 (5) |
Ru7—Ru3—C31 | 125.56 (18) | Ru6—C61—O61 | 173.4 (6) |
P1—Ru3—C31 | 130.4 (2) | Ru6—C62—O62 | 174.9 (5) |
Ru2—Ru3—C32 | 92.3 (2) | Ru6—C63—O63 | 176.4 (6) |
Ru4—Ru3—C32 | 173.88 (19) | Ru7—C71—O71 | 176.1 (5) |
Ru6—Ru3—C32 | 83.54 (19) | Ru7—C72—O72 | 178.1 (5) |
Ru7—Ru3—C32 | 125.3 (2) | Ru8—C81—O81 | 174.8 (5) |
P1—Ru3—C32 | 132.4 (2) | Ru8—C82—O82 | 174.4 (6) |
Ru2—Ru3—C33 | 147.37 (16) | Ru8—C83—O83 | 176.6 (5) |
Ru4—Ru3—C33 | 87.77 (15) | P3—C101—C102 | 119.2 (4) |
Ru6—Ru3—C33 | 89.54 (16) | P3—C101—C106 | 122.6 (5) |
Ru7—Ru3—C33 | 46.83 (16) | C102—C101—C106 | 118.2 (5) |
P1—Ru3—C33 | 101.27 (16) | C101—C102—C103 | 120.5 (6) |
C31—Ru3—C32 | 90.6 (3) | C101—C102—H1021 | 119.7 |
C31—Ru3—C33 | 96.9 (2) | C103—C102—H1021 | 119.7 |
C32—Ru3—C33 | 95.2 (3) | C102—C103—C104 | 120.0 (6) |
Ru3—Ru4—Ru1 | 91.783 (16) | C102—C103—H1031 | 120.0 |
Ru3—Ru4—Ru7 | 57.002 (14) | C104—C103—H1031 | 120.0 |
Ru1—Ru4—Ru7 | 102.862 (17) | C103—C104—C105 | 120.3 (6) |
Ru3—Ru4—Ru8 | 100.364 (16) | C103—C104—H1041 | 119.8 |
Ru1—Ru4—Ru8 | 60.448 (14) | C105—C104—H1041 | 119.8 |
Ru7—Ru4—Ru8 | 60.255 (14) | C104—C105—C106 | 119.7 (6) |
Ru3—Ru4—P1 | 51.87 (3) | C104—C105—H1051 | 120.1 |
Ru1—Ru4—P1 | 53.13 (3) | C106—C105—H1051 | 120.1 |
Ru7—Ru4—P1 | 52.92 (3) | C101—C106—C105 | 121.2 (6) |
Ru8—Ru4—P1 | 52.76 (3) | C101—C106—H1061 | 119.4 |
Ru3—Ru4—C41 | 91.5 (2) | C105—C106—H1061 | 119.4 |
Ru1—Ru4—C41 | 72.1 (2) | P3—C107—C108 | 120.6 (5) |
Ru7—Ru4—C41 | 148.4 (2) | P3—C107—C112 | 120.0 (5) |
Ru8—Ru4—C41 | 131.2 (2) | C108—C107—C112 | 119.4 (6) |
P1—Ru4—C41 | 106.7 (2) | C107—C108—C109 | 120.7 (6) |
Ru3—Ru4—C42 | 83.3 (2) | C107—C108—H1081 | 119.6 |
Ru1—Ru4—C42 | 168.8 (2) | C109—C108—H1081 | 119.6 |
Ru7—Ru4—C42 | 82.93 (18) | C108—C109—C110 | 119.5 (7) |
Ru8—Ru4—C42 | 130.30 (19) | C108—C109—H1091 | 120.3 |
P1—Ru4—C42 | 128.19 (18) | C110—C109—H1091 | 120.3 |
Ru3—Ru4—C43 | 176.05 (19) | C109—C110—C111 | 120.4 (7) |
Ru1—Ru4—C43 | 92.16 (19) | C109—C110—H1101 | 119.8 |
Ru7—Ru4—C43 | 122.22 (18) | C111—C110—H1101 | 119.8 |
Ru8—Ru4—C43 | 81.85 (18) | C110—C111—C112 | 120.8 (7) |
P1—Ru4—C43 | 131.38 (19) | C110—C111—H1111 | 119.6 |
C41—Ru4—C42 | 97.9 (3) | C112—C111—H1111 | 119.6 |
C41—Ru4—C43 | 89.4 (3) | C107—C112—C111 | 119.1 (7) |
C42—Ru4—C43 | 92.8 (3) | C107—C112—H1121 | 120.5 |
Ru2—Ru5—Ru1 | 62.038 (14) | C111—C112—H1121 | 120.5 |
Ru2—Ru5—Ru6 | 59.464 (14) | P2—C119—C120 | 120.9 (5) |
Ru1—Ru5—Ru6 | 103.879 (18) | P2—C119—C124 | 119.1 (5) |
Ru2—Ru5—Ru8 | 101.586 (17) | C120—C119—C124 | 120.0 (6) |
Ru1—Ru5—Ru8 | 61.116 (14) | C119—C120—C121 | 119.6 (7) |
Ru6—Ru5—Ru8 | 88.099 (16) | C119—C120—H1201 | 120.2 |
Ru2—Ru5—P1 | 52.34 (3) | C121—C120—H1201 | 120.2 |
Ru1—Ru5—P1 | 54.74 (3) | C120—C121—C122 | 119.7 (7) |
Ru6—Ru5—P1 | 52.08 (3) | C120—C121—H1211 | 120.2 |
Ru8—Ru5—P1 | 51.84 (3) | C122—C121—H1211 | 120.2 |
Ru2—Ru5—C13 | 89.65 (15) | C121—C122—C123 | 120.5 (7) |
Ru1—Ru5—C13 | 46.76 (16) | C121—C122—H1221 | 119.8 |
Ru6—Ru5—C13 | 147.19 (16) | C123—C122—H1221 | 119.8 |
Ru8—Ru5—C13 | 87.70 (15) | C122—C123—C124 | 121.1 (7) |
P1—Ru5—C13 | 101.49 (16) | C122—C123—H1231 | 119.5 |
Ru2—Ru5—C51 | 176.07 (19) | C124—C123—H1231 | 119.5 |
Ru1—Ru5—C51 | 121.58 (19) | C123—C124—C119 | 119.2 (6) |
Ru6—Ru5—C51 | 119.36 (19) | C123—C124—H1241 | 120.4 |
Ru8—Ru5—C51 | 81.96 (18) | C119—C124—H1241 | 120.4 |
P1—Ru5—C51 | 130.49 (18) | P2—C125—C126 | 119.6 (5) |
Ru2—Ru5—C52 | 86.33 (17) | P2—C125—C130 | 121.1 (5) |
Ru1—Ru5—C52 | 126.03 (17) | C126—C125—C130 | 119.2 (6) |
Ru6—Ru5—C52 | 93.74 (17) | C125—C126—C127 | 119.4 (7) |
Ru8—Ru5—C52 | 171.65 (17) | C125—C126—H1261 | 120.3 |
P1—Ru5—C52 | 134.71 (17) | C127—C126—H1261 | 120.3 |
C13—Ru5—C51 | 92.2 (2) | C126—C127—C128 | 120.9 (7) |
C13—Ru5—C52 | 95.1 (2) | C126—C127—H1271 | 119.6 |
C51—Ru5—C52 | 90.0 (2) | C128—C127—H1271 | 119.5 |
Ru5—Ru6—Ru2 | 60.121 (14) | C127—C128—C129 | 120.0 (7) |
Ru5—Ru6—Ru3 | 102.465 (16) | C127—C128—H1281 | 120.0 |
Ru2—Ru6—Ru3 | 60.526 (14) | C129—C128—H1281 | 120.0 |
Ru5—Ru6—Ru7 | 91.407 (16) | C128—C129—C130 | 120.1 (7) |
Ru2—Ru6—Ru7 | 100.555 (15) | C128—C129—H1291 | 119.9 |
Ru3—Ru6—Ru7 | 56.999 (14) | C130—C129—H1291 | 119.9 |
Ru5—Ru6—P1 | 52.70 (4) | C129—C130—C125 | 120.4 (6) |
Ru2—Ru6—P1 | 52.76 (3) | C129—C130—H1301 | 119.8 |
Ru3—Ru6—P1 | 52.87 (4) | C125—C130—H1301 | 119.8 |
Ru7—Ru6—P1 | 51.95 (3) | P2—C131—C132 | 119.6 (5) |
Ru5—Ru6—C61 | 73.34 (19) | P2—C131—C136 | 120.7 (4) |
Ru2—Ru6—C61 | 131.6 (2) | C132—C131—C136 | 119.6 (6) |
Ru3—Ru6—C61 | 149.64 (18) | C131—C132—C133 | 119.8 (6) |
Ru7—Ru6—C61 | 92.74 (18) | C131—C132—H1321 | 120.1 |
P1—Ru6—C61 | 108.36 (18) | C133—C132—H1321 | 120.1 |
Ru5—Ru6—C62 | 92.29 (18) | C132—C133—C134 | 120.6 (6) |
Ru2—Ru6—C62 | 80.05 (17) | C132—C133—H1331 | 119.7 |
Ru3—Ru6—C62 | 120.61 (18) | C134—C133—H1331 | 119.7 |
Ru7—Ru6—C62 | 176.02 (18) | C133—C134—C135 | 119.2 (6) |
P1—Ru6—C62 | 129.97 (17) | C133—C134—H1341 | 120.4 |
Ru5—Ru6—C63 | 168.33 (18) | C135—C134—H1341 | 120.4 |
Ru2—Ru6—C63 | 131.34 (18) | C134—C135—C136 | 121.3 (7) |
Ru3—Ru6—C63 | 84.36 (18) | C134—C135—H1351 | 119.3 |
Ru7—Ru6—C63 | 84.37 (18) | C136—C135—H1351 | 119.3 |
P1—Ru6—C63 | 129.62 (19) | C131—C136—C135 | 119.4 (6) |
C61—Ru6—C62 | 89.7 (2) | C131—C136—H1361 | 120.3 |
C61—Ru6—C63 | 96.0 (2) | C135—C136—H1361 | 120.3 |
C62—Ru6—C63 | 92.3 (2) | Cl30—C150—Cl2 | 115.2 (9) |
Ru6—Ru7—Ru4 | 101.557 (16) | Cl30—C150—Cl1 | 106.3 (8) |
Ru6—Ru7—Ru3 | 60.212 (15) | Cl2—C150—Cl1 | 107.8 (8) |
Ru4—Ru7—Ru3 | 62.555 (15) | Cl2—C150—Cl31 | 120.4 (9) |
Ru6—Ru7—Ru8 | 88.070 (16) | Cl31—C150—C151 | 105.7 (16) |
Ru4—Ru7—Ru8 | 59.699 (14) | Cl30—C150—H1501 | 109.2 |
Ru3—Ru7—Ru8 | 103.950 (17) | Cl2—C150—H1501 | 109.1 |
Ru6—Ru7—P1 | 51.53 (3) | Cl1—C150—H1501 | 109.1 |
Ru4—Ru7—P1 | 52.57 (3) | Cl1—C151—Cl31 | 104.5 (6) |
Ru3—Ru7—P1 | 54.22 (3) | Cl1—C151—Cl2 | 110.5 (6) |
Ru8—Ru7—P1 | 52.44 (3) | Cl31—C151—Cl2 | 106.1 (6) |
Ru6—Ru7—C33 | 88.06 (15) | Cl1—C151—Cl30 | 111.3 (6) |
Ru4—Ru7—C33 | 89.85 (16) | Cl1—C151—H1511 | 111.8 |
Ru3—Ru7—C33 | 47.58 (15) | Cl31—C151—H1511 | 111.8 |
Ru8—Ru7—C33 | 147.75 (16) | Cl2—C151—H1511 | 111.8 |
P1—Ru7—C33 | 101.80 (16) | P3—C250—C251 | 124.1 (9) |
Ru6—Ru7—C71 | 83.46 (16) | P3—C250—C255 | 115.4 (8) |
Ru4—Ru7—C71 | 173.26 (16) | C251—C250—C255 | 120.1 (10) |
Ru3—Ru7—C71 | 124.16 (16) | C250—C251—C252 | 120.0 (10) |
Ru8—Ru7—C71 | 116.46 (17) | C250—C251—H2511 | 120.0 |
P1—Ru7—C71 | 130.63 (17) | C252—C251—H2511 | 120.0 |
Ru6—Ru7—C72 | 172.60 (17) | C251—C252—C253 | 118.6 (10) |
Ru4—Ru7—C72 | 85.36 (17) | C251—C252—H2521 | 120.7 |
Ru3—Ru7—C72 | 126.27 (17) | C253—C252—H2521 | 120.7 |
Ru8—Ru7—C72 | 93.25 (18) | C252—C253—C254 | 121.9 (10) |
P1—Ru7—C72 | 134.11 (18) | C252—C253—H2531 | 119.0 |
C33—Ru7—C71 | 94.8 (2) | C254—C253—H2531 | 119.1 |
C33—Ru7—C72 | 94.6 (2) | C253—C254—C255 | 118.4 (10) |
C71—Ru7—C72 | 89.4 (2) | C253—C254—H2541 | 120.8 |
Ru5—Ru8—Ru1 | 57.204 (14) | C255—C254—H2541 | 120.8 |
Ru5—Ru8—Ru7 | 92.232 (16) | C250—C255—C254 | 121.0 (10) |
Ru1—Ru8—Ru7 | 102.678 (16) | C250—C255—H2551 | 119.5 |
Ru5—Ru8—Ru4 | 100.891 (16) | C254—C255—H2551 | 119.5 |
Ru1—Ru8—Ru4 | 60.399 (14) | P3—C260—C261 | 119.2 (7) |
Ru7—Ru8—Ru4 | 60.046 (14) | P3—C260—C265 | 120.5 (7) |
Ru5—Ru8—P1 | 52.42 (3) | C261—C260—C265 | 119.7 (9) |
Ru1—Ru8—P1 | 53.12 (3) | C260—C261—C262 | 120.8 (9) |
Ru7—Ru8—P1 | 52.84 (3) | C260—C261—H2611 | 119.6 |
Ru4—Ru8—P1 | 52.81 (3) | C262—C261—H2611 | 119.6 |
Ru5—Ru8—C81 | 88.14 (17) | C261—C262—C263 | 118.0 (9) |
Ru1—Ru8—C81 | 145.33 (17) | C261—C262—H2621 | 121.0 |
Ru7—Ru8—C81 | 77.26 (18) | C263—C262—H2621 | 121.0 |
Ru4—Ru8—C81 | 136.46 (18) | C262—C263—C264 | 121.2 (10) |
P1—Ru8—C81 | 108.15 (18) | C262—C263—H2631 | 119.4 |
Ru5—Ru8—C82 | 175.43 (18) | C264—C263—H2631 | 119.4 |
Ru1—Ru8—C82 | 125.97 (18) | C263—C264—C265 | 121.2 (9) |
Ru7—Ru8—C82 | 90.14 (18) | C263—C264—H2641 | 119.4 |
Ru4—Ru8—C82 | 83.67 (18) | C265—C264—H2641 | 119.4 |
P1—Ru8—C82 | 131.82 (19) | C264—C265—C260 | 119.1 (9) |
Ru5—Ru8—C83 | 84.11 (18) | C264—C265—H2651 | 120.5 |
Ru1—Ru8—C83 | 79.50 (16) | C260—C265—H2651 | 120.4 |
Ru7—Ru8—C83 | 173.86 (18) |
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