Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680402745X/dn6170sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680402745X/dn6170Isup2.hkl |
CCDC reference: 250531
Key indicators
- Single-crystal X-ray study
- T = 153 K
- Mean (C-C) = 0.014 Å
- H-atom completeness 72%
- R factor = 0.052
- wR factor = 0.136
- Data-to-parameter ratio = 16.9
checkCIF/PLATON results
No syntax errors found
Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.93
Author Response: The fixed phi spindle of the Stoe IPDS does not allow an easy access to the cusp of data along the mounted axis. This is an instrumentation-based restriction in which the authors have little control over. |
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.17 Ratio
Author Response: Crystals of meso-(1) have been obtained from a mixture containing the meso form as well as two enantiomers, therefore within the crystal packing, it is possible that occasionnaly one of the enantiomer replaces a meso form of (1). Moreover, the benzene ring of the 1,2,4-trimethylbenzene ligands can rotate adding disorder to the methyl groups. However, the remaining residues are small and despite the presence of large ellipsoids for some methyl groups, the authors believe that keeping the 1,2,4-trimethylbenzene ligands over only one position is justified. |
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.36 Ratio PLAT230_ALERT_2_B Hirshfeld Test Diff for C4 - C9 .. 8.89 su
Alert level C CHEMW01_ALERT_1_C The ratio of given/expected molecular weight as calculated from the _chemical_formula_sum lies outside the range 0.99 <> 1.01 Calculated formula weight = 651.0653 Formula weight given = 640.9300 CHEMW01_ALERT_1_C The difference between the given and expected weight for compound is greater 1 mass unit. Check that all hydrogen atoms have been taken into account. REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.84 From the CIF: _diffrn_reflns_theta_full 0.00 From the CIF: _reflns_number_total 6090 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 6532 Completeness (_total/calc) 93.23% PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.93 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 ............ 0.33 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C10 - C11 .. 6.36 su PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors for C4 PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for C28 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.21 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 14
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C18.67 H35.33 Cl5.333 Ru2 Atom count from _chemical_formula_moiety:C18.67 H25.34 Cl5.34 Ru2 FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C18.67 H35.33 Cl5.333 Ru2 Atom count from the _atom_site data: C18.66666 H25.33333 Cl5.333333 R CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional? From the CIF: _cell_formula_units_Z 3 From the CIF: _chemical_formula_sum C18.67 H35.33 Cl5.333 Ru2 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 56.01 56.00 0.01 H 105.99 76.00 29.99 Cl 16.00 16.00 0.00 Ru 6.00 6.00 0.00
2 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: EXPOSE in IPDS Software (Stoe & Cie, 2000); cell refinement: CELL in IPDS Software; data reduction: INTEGRATE in IPDS Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
C18H24Cl4Ru2·0.67CH2Cl2 | Z = 3 |
Mr = 640.93 | F(000) = 948 |
Triclinic, P1 | Dx = 1.886 Mg m−3 |
Hall symbol: -P 1 | Melting point: [Ru2 Cl4 (C9 H12)2], 0.67C H2 Cl2 K |
a = 9.9388 (11) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.3703 (13) Å | Cell parameters from 7734 reflections |
c = 14.4034 (17) Å | θ = 2.1–25.8° |
α = 97.105 (13)° | µ = 1.97 mm−1 |
β = 90.644 (13)° | T = 153 K |
γ = 105.358 (12)° | Plate, orange |
V = 1692.7 (3) Å3 | 0.57 × 0.36 × 0.14 mm |
Stoe IPDS diffractometer | 6090 independent reflections |
Radiation source: fine-focus sealed tube | 3899 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.062 |
φ scans | θmax = 25.8°, θmin = 2.1° |
Absorption correction: multi-scan (Blessing, 1995) | h = −12→12 |
Tmin = 0.463, Tmax = 0.759 | k = −14→14 |
12013 measured reflections | l = −17→17 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.053 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.136 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0745P)2] where P = (Fo2 + 2Fc2)/3 |
6090 reflections | (Δ/σ)max < 0.001 |
361 parameters | Δρmax = 1.61 e Å−3 |
0 restraints | Δρmin = −1.37 e Å−3 |
Experimental. A crystal was mounted at 153 K on a Stoe Image Plate Diffraction System (Stoe & Cie, 2000) using Mo Kα graphite monochromated radiation. Image plate distance 70 mm, φ oscillation scans 0 - 200°, step Δφ = 1.6°, 1 minute per frame. |
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. |
x | y | z | Uiso*/Ueq | ||
C1 | 0.1255 (8) | 0.1103 (9) | 0.7401 (8) | 0.059 (3) | |
C2 | 0.1279 (8) | 0.0291 (10) | 0.6609 (6) | 0.055 (3) | |
C3 | 0.0877 (7) | −0.0878 (10) | 0.6739 (7) | 0.063 (3) | |
H3 | 0.0857 | −0.1430 | 0.6235 | 0.076* | |
C4 | 0.0507 (8) | −0.1201 (10) | 0.7639 (8) | 0.061 (3) | |
C5 | 0.0487 (8) | −0.0411 (10) | 0.8406 (8) | 0.064 (3) | |
H5 | 0.0226 | −0.0632 | 0.8987 | 0.076* | |
C6 | 0.0860 (8) | 0.0691 (11) | 0.8281 (7) | 0.063 (3) | |
H6 | 0.0863 | 0.1222 | 0.8798 | 0.076* | |
C7 | 0.1718 (10) | 0.2290 (11) | 0.7344 (10) | 0.093 (4) | |
H7A | 0.2649 | 0.2472 | 0.7124 | 0.139* | |
H7B | 0.1713 | 0.2704 | 0.7953 | 0.139* | |
H7C | 0.1104 | 0.2491 | 0.6918 | 0.139* | |
C8 | 0.1719 (10) | 0.0610 (11) | 0.5664 (7) | 0.085 (4) | |
H8A | 0.1866 | −0.0035 | 0.5278 | 0.127* | |
H8B | 0.2570 | 0.1208 | 0.5735 | 0.127* | |
H8C | 0.1001 | 0.0861 | 0.5374 | 0.127* | |
C9 | 0.0164 (15) | −0.2408 (16) | 0.7884 (11) | 0.145 (7) | |
H9A | 0.0253 | −0.2388 | 0.8551 | 0.217* | |
H9B | 0.0800 | −0.2793 | 0.7589 | 0.217* | |
H9C | −0.0775 | −0.2803 | 0.7668 | 0.217* | |
C10 | 0.6866 (8) | 0.5254 (9) | 0.5235 (9) | 0.069 (3) | |
C11 | 0.6678 (8) | 0.4616 (11) | 0.4324 (7) | 0.055 (3) | |
C12 | 0.6388 (8) | 0.3460 (10) | 0.4191 (7) | 0.061 (3) | |
H12 | 0.6335 | 0.3088 | 0.3584 | 0.073* | |
C13 | 0.6172 (7) | 0.2829 (9) | 0.4928 (5) | 0.049 (2) | |
C14 | 0.6326 (7) | 0.3426 (8) | 0.5866 (5) | 0.045 (2) | |
H14 | 0.6198 | 0.3010 | 0.6369 | 0.054* | |
C15 | 0.6665 (7) | 0.4618 (9) | 0.6051 (7) | 0.053 (2) | |
H15 | 0.6758 | 0.4988 | 0.6660 | 0.064* | |
C16 | 0.7256 (10) | 0.6494 (12) | 0.5466 (10) | 0.100 (4) | |
H16A | 0.8155 | 0.6808 | 0.5229 | 0.150* | |
H16B | 0.7294 | 0.6692 | 0.6134 | 0.150* | |
H16C | 0.6573 | 0.6792 | 0.5187 | 0.150* | |
C17 | 0.6960 (11) | 0.5261 (12) | 0.3475 (8) | 0.093 (4) | |
H17A | 0.7167 | 0.4777 | 0.2953 | 0.140* | |
H17B | 0.7741 | 0.5914 | 0.3622 | 0.140* | |
H17C | 0.6150 | 0.5496 | 0.3316 | 0.140* | |
C18 | 0.5893 (9) | 0.1576 (9) | 0.4761 (6) | 0.064 (3) | |
H18A | 0.4916 | 0.1234 | 0.4820 | 0.096* | |
H18B | 0.6427 | 0.1333 | 0.5214 | 0.096* | |
H18C | 0.6155 | 0.1352 | 0.4143 | 0.096* | |
C19 | 0.7873 (7) | 0.2514 (7) | 0.9430 (5) | 0.0368 (19) | |
C20 | 0.8349 (7) | 0.2710 (7) | 0.8499 (5) | 0.0337 (18) | |
C21 | 0.8107 (6) | 0.1786 (7) | 0.7789 (5) | 0.037 (2) | |
H21 | 0.8376 | 0.1918 | 0.7188 | 0.044* | |
C22 | 0.7463 (7) | 0.0642 (7) | 0.7951 (5) | 0.0327 (18) | |
C23 | 0.7037 (7) | 0.0466 (7) | 0.8850 (5) | 0.0348 (18) | |
H23 | 0.6620 | −0.0263 | 0.8980 | 0.042* | |
C24 | 0.7240 (7) | 0.1396 (7) | 0.9571 (5) | 0.0362 (18) | |
H24 | 0.6937 | 0.1256 | 1.0164 | 0.043* | |
C25 | 0.7993 (9) | 0.3469 (8) | 1.0198 (5) | 0.049 (2) | |
H25A | 0.7515 | 0.3186 | 1.0730 | 0.073* | |
H25B | 0.7580 | 0.4019 | 0.9985 | 0.073* | |
H25C | 0.8960 | 0.3816 | 1.0373 | 0.073* | |
C26 | 0.8995 (8) | 0.3874 (7) | 0.8277 (6) | 0.046 (2) | |
H26A | 0.9055 | 0.3860 | 0.7611 | 0.069* | |
H26B | 0.9914 | 0.4152 | 0.8571 | 0.069* | |
H26C | 0.8430 | 0.4362 | 0.8506 | 0.069* | |
C27 | 0.7201 (7) | −0.0280 (7) | 0.7158 (5) | 0.041 (2) | |
H27A | 0.7975 | −0.0609 | 0.7122 | 0.061* | |
H27B | 0.7095 | 0.0019 | 0.6586 | 0.061* | |
H27C | 0.6363 | −0.0848 | 0.7252 | 0.061* | |
C28 | 0.3694 (10) | 0.3691 (9) | 1.0527 (7) | 0.066 (3) | |
H28A | 0.4097 | 0.4496 | 1.0704 | 0.079* | |
H28B | 0.4222 | 0.3438 | 1.0023 | 0.079* | |
Cl1 | 0.36010 (19) | −0.14506 (18) | 0.79432 (13) | 0.0419 (5) | |
Cl2 | 0.39237 (17) | 0.10712 (17) | 0.91604 (12) | 0.0382 (5) | |
Cl3 | 0.46158 (16) | 0.09654 (17) | 0.70097 (12) | 0.0347 (4) | |
Cl4 | 0.54735 (19) | 0.34718 (18) | 0.83311 (13) | 0.0413 (5) | |
Cl5 | 1.01278 (17) | 0.5504 (2) | 0.60715 (13) | 0.0441 (5) | |
Cl6 | 0.92653 (19) | 0.2695 (2) | 0.55285 (14) | 0.0487 (5) | |
Cl7 | 0.3833 (4) | 0.2976 (3) | 1.1495 (3) | 0.1157 (13) | |
Cl8 | 0.1963 (3) | 0.3451 (3) | 1.0132 (2) | 0.0855 (9) | |
Ru1 | 0.25248 (6) | 0.00250 (6) | 0.77664 (4) | 0.0401 (2) | |
Ru2 | 0.61306 (5) | 0.17541 (5) | 0.84121 (4) | 0.02885 (17) | |
Ru3 | 0.81985 (6) | 0.41211 (6) | 0.51535 (4) | 0.0418 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.032 (4) | 0.053 (7) | 0.098 (8) | 0.025 (4) | −0.009 (4) | 0.004 (6) |
C2 | 0.035 (4) | 0.069 (8) | 0.064 (6) | 0.020 (4) | −0.002 (4) | 0.006 (6) |
C3 | 0.027 (4) | 0.091 (10) | 0.067 (6) | 0.020 (5) | −0.006 (4) | −0.017 (6) |
C4 | 0.030 (4) | 0.063 (8) | 0.084 (7) | 0.001 (4) | 0.009 (4) | 0.008 (6) |
C5 | 0.042 (5) | 0.065 (9) | 0.087 (7) | 0.022 (5) | 0.018 (4) | 0.004 (6) |
C6 | 0.037 (4) | 0.089 (10) | 0.077 (7) | 0.044 (5) | 0.012 (4) | 0.002 (6) |
C7 | 0.052 (6) | 0.091 (11) | 0.155 (11) | 0.031 (6) | −0.004 (6) | 0.067 (9) |
C8 | 0.059 (6) | 0.130 (12) | 0.075 (7) | 0.035 (6) | −0.012 (5) | 0.031 (7) |
C9 | 0.094 (10) | 0.19 (2) | 0.127 (13) | 0.012 (11) | 0.017 (9) | −0.006 (13) |
C10 | 0.024 (4) | 0.038 (7) | 0.152 (11) | 0.016 (4) | 0.018 (5) | 0.026 (7) |
C11 | 0.037 (4) | 0.081 (9) | 0.062 (6) | 0.034 (5) | 0.004 (4) | 0.021 (6) |
C12 | 0.031 (4) | 0.082 (9) | 0.071 (6) | 0.016 (5) | −0.008 (4) | 0.011 (6) |
C13 | 0.034 (4) | 0.068 (7) | 0.040 (4) | 0.005 (4) | 0.009 (3) | 0.004 (5) |
C14 | 0.031 (4) | 0.052 (7) | 0.050 (5) | 0.008 (4) | 0.017 (3) | 0.006 (4) |
C15 | 0.028 (4) | 0.059 (7) | 0.076 (6) | 0.015 (4) | 0.013 (4) | 0.009 (5) |
C16 | 0.045 (6) | 0.104 (12) | 0.161 (12) | 0.043 (7) | 0.011 (6) | 0.007 (9) |
C17 | 0.067 (6) | 0.130 (12) | 0.105 (9) | 0.043 (7) | 0.006 (6) | 0.064 (9) |
C18 | 0.057 (5) | 0.072 (9) | 0.052 (5) | 0.009 (5) | 0.003 (4) | −0.018 (5) |
C19 | 0.030 (3) | 0.039 (6) | 0.043 (4) | 0.011 (3) | −0.001 (3) | 0.007 (4) |
C20 | 0.032 (3) | 0.033 (5) | 0.038 (4) | 0.012 (3) | 0.000 (3) | 0.006 (4) |
C21 | 0.027 (3) | 0.054 (6) | 0.030 (4) | 0.016 (3) | 0.001 (3) | −0.003 (4) |
C22 | 0.031 (3) | 0.036 (5) | 0.039 (4) | 0.020 (3) | 0.006 (3) | 0.011 (4) |
C23 | 0.034 (4) | 0.031 (5) | 0.047 (4) | 0.021 (3) | −0.001 (3) | 0.006 (4) |
C24 | 0.041 (4) | 0.030 (5) | 0.040 (4) | 0.013 (3) | −0.001 (3) | 0.007 (4) |
C25 | 0.064 (5) | 0.039 (6) | 0.040 (4) | 0.014 (4) | −0.004 (4) | −0.006 (4) |
C26 | 0.043 (4) | 0.038 (6) | 0.057 (5) | 0.007 (4) | 0.007 (4) | 0.011 (4) |
C27 | 0.038 (4) | 0.037 (6) | 0.050 (5) | 0.019 (4) | 0.003 (3) | −0.002 (4) |
C28 | 0.081 (6) | 0.042 (7) | 0.078 (7) | 0.023 (5) | 0.035 (5) | 0.004 (5) |
Cl1 | 0.0482 (10) | 0.0348 (13) | 0.0452 (10) | 0.0159 (9) | 0.0099 (8) | 0.0039 (9) |
Cl2 | 0.0409 (9) | 0.0368 (13) | 0.0381 (10) | 0.0141 (8) | 0.0104 (7) | 0.0012 (9) |
Cl3 | 0.0338 (8) | 0.0376 (13) | 0.0346 (9) | 0.0133 (8) | 0.0004 (7) | 0.0036 (8) |
Cl4 | 0.0478 (10) | 0.0325 (13) | 0.0493 (11) | 0.0209 (9) | 0.0070 (8) | 0.0044 (9) |
Cl5 | 0.0343 (9) | 0.0623 (16) | 0.0385 (10) | 0.0144 (9) | 0.0077 (7) | 0.0137 (10) |
Cl6 | 0.0437 (10) | 0.0529 (16) | 0.0520 (12) | 0.0130 (9) | 0.0049 (8) | 0.0159 (11) |
Cl7 | 0.168 (4) | 0.087 (3) | 0.110 (3) | 0.059 (3) | −0.014 (2) | 0.029 (2) |
Cl8 | 0.104 (2) | 0.070 (2) | 0.096 (2) | 0.0490 (17) | 0.0157 (16) | 0.0076 (17) |
Ru1 | 0.0306 (3) | 0.0420 (5) | 0.0490 (4) | 0.0142 (3) | 0.0058 (2) | 0.0013 (3) |
Ru2 | 0.0323 (3) | 0.0260 (4) | 0.0312 (3) | 0.0133 (2) | 0.0042 (2) | 0.0026 (3) |
Ru3 | 0.0269 (3) | 0.0599 (6) | 0.0423 (4) | 0.0123 (3) | 0.0058 (2) | 0.0192 (3) |
C1—C2 | 1.429 (14) | C17—H17A | 0.9600 |
C1—C7 | 1.431 (14) | C17—H17B | 0.9600 |
C1—C6 | 1.444 (14) | C17—H17C | 0.9600 |
C1—Ru1 | 2.167 (9) | C18—H18A | 0.9600 |
C2—C3 | 1.432 (14) | C18—H18B | 0.9600 |
C2—C8 | 1.502 (13) | C18—H18C | 0.9600 |
C2—Ru1 | 2.174 (9) | C19—C24 | 1.401 (11) |
C3—C4 | 1.426 (14) | C19—C20 | 1.454 (10) |
C3—Ru1 | 2.165 (8) | C19—C25 | 1.494 (11) |
C3—H3 | 0.9300 | C19—Ru2 | 2.184 (7) |
C4—C5 | 1.386 (14) | C20—C21 | 1.403 (11) |
C4—C9 | 1.53 (2) | C20—C26 | 1.489 (11) |
C4—Ru1 | 2.161 (8) | C20—Ru2 | 2.203 (7) |
C5—C6 | 1.350 (14) | C21—C22 | 1.440 (11) |
C5—Ru1 | 2.198 (8) | C21—Ru2 | 2.162 (6) |
C5—H5 | 0.9300 | C21—H21 | 0.9300 |
C6—Ru1 | 2.136 (8) | C22—C23 | 1.391 (10) |
C6—H6 | 0.9300 | C22—C27 | 1.478 (11) |
C7—H7A | 0.9600 | C22—Ru2 | 2.201 (7) |
C7—H7B | 0.9600 | C23—C24 | 1.421 (11) |
C7—H7C | 0.9600 | C23—Ru2 | 2.178 (7) |
C8—H8A | 0.9600 | C23—H23 | 0.9300 |
C8—H8B | 0.9600 | C24—Ru2 | 2.144 (7) |
C8—H8C | 0.9600 | C24—H24 | 0.9300 |
C9—H9A | 0.9600 | C25—H25A | 0.9600 |
C9—H9B | 0.9600 | C25—H25B | 0.9600 |
C9—H9C | 0.9600 | C25—H25C | 0.9600 |
C10—C11 | 1.429 (15) | C26—H26A | 0.9600 |
C10—C16 | 1.473 (16) | C26—H26B | 0.9600 |
C10—C15 | 1.480 (14) | C26—H26C | 0.9600 |
C10—Ru3 | 2.163 (9) | C27—H27A | 0.9600 |
C11—C12 | 1.371 (14) | C27—H27B | 0.9600 |
C11—C17 | 1.530 (13) | C27—H27C | 0.9600 |
C11—Ru3 | 2.173 (8) | C28—Cl8 | 1.744 (10) |
C12—C13 | 1.380 (13) | C28—Cl7 | 1.763 (10) |
C12—Ru3 | 2.171 (8) | C28—H28A | 0.9700 |
C12—H12 | 0.9300 | C28—H28B | 0.9700 |
C13—C14 | 1.443 (11) | Cl1—Ru1 | 2.384 (2) |
C13—C18 | 1.489 (14) | Cl2—Ru1 | 2.446 (2) |
C13—Ru3 | 2.206 (8) | Cl2—Ru2 | 2.4461 (17) |
C14—C15 | 1.413 (12) | Cl3—Ru1 | 2.4380 (17) |
C14—Ru3 | 2.161 (7) | Cl3—Ru2 | 2.4423 (18) |
C14—H14 | 0.9300 | Cl4—Ru2 | 2.398 (2) |
C15—Ru3 | 2.171 (8) | Cl5—Ru3i | 2.4404 (18) |
C15—H15 | 0.9300 | Cl5—Ru3 | 2.449 (2) |
C16—H16A | 0.9600 | Cl6—Ru3 | 2.396 (2) |
C16—H16B | 0.9600 | Ru3—Cl5i | 2.4404 (18) |
C16—H16C | 0.9600 | ||
C2—C1—C7 | 121.0 (11) | C23—C24—Ru2 | 72.1 (4) |
C2—C1—C6 | 117.9 (10) | C19—C24—H24 | 118.5 |
C7—C1—C6 | 120.9 (11) | C23—C24—H24 | 118.5 |
C2—C1—Ru1 | 71.0 (5) | Ru2—C24—H24 | 129.4 |
C7—C1—Ru1 | 126.8 (6) | C19—C25—H25A | 109.5 |
C6—C1—Ru1 | 69.2 (5) | C19—C25—H25B | 109.5 |
C1—C2—C3 | 117.5 (9) | H25A—C25—H25B | 109.5 |
C1—C2—C8 | 123.2 (10) | C19—C25—H25C | 109.5 |
C3—C2—C8 | 119.3 (10) | H25A—C25—H25C | 109.5 |
C1—C2—Ru1 | 70.5 (5) | H25B—C25—H25C | 109.5 |
C3—C2—Ru1 | 70.4 (5) | C20—C26—H26A | 109.5 |
C8—C2—Ru1 | 129.5 (6) | C20—C26—H26B | 109.5 |
C4—C3—C2 | 120.4 (9) | H26A—C26—H26B | 109.5 |
C4—C3—Ru1 | 70.6 (5) | C20—C26—H26C | 109.5 |
C2—C3—Ru1 | 71.1 (5) | H26A—C26—H26C | 109.5 |
C4—C3—H3 | 119.8 | H26B—C26—H26C | 109.5 |
C2—C3—H3 | 119.8 | C22—C27—H27A | 109.5 |
Ru1—C3—H3 | 131.3 | C22—C27—H27B | 109.5 |
C5—C4—C3 | 121.9 (11) | H27A—C27—H27B | 109.5 |
C5—C4—C9 | 112.6 (11) | C22—C27—H27C | 109.5 |
C3—C4—C9 | 125.4 (11) | H27A—C27—H27C | 109.5 |
C5—C4—Ru1 | 72.9 (5) | H27B—C27—H27C | 109.5 |
C3—C4—Ru1 | 70.9 (5) | Cl8—C28—Cl7 | 111.9 (5) |
C9—C4—Ru1 | 127.1 (8) | Cl8—C28—H28A | 109.2 |
C6—C5—C4 | 117.6 (10) | Cl7—C28—H28A | 109.2 |
C6—C5—Ru1 | 69.4 (5) | Cl8—C28—H28B | 109.2 |
C4—C5—Ru1 | 70.0 (5) | Cl7—C28—H28B | 109.2 |
C6—C5—H5 | 121.2 | H28A—C28—H28B | 107.9 |
C4—C5—H5 | 121.2 | Ru1—Cl2—Ru2 | 98.13 (6) |
Ru1—C5—H5 | 132.0 | Ru1—Cl3—Ru2 | 98.44 (6) |
C5—C6—C1 | 124.7 (10) | Ru3i—Cl5—Ru3 | 99.36 (7) |
C5—C6—Ru1 | 74.3 (6) | C6—Ru1—C4 | 66.0 (4) |
C1—C6—Ru1 | 71.6 (5) | C6—Ru1—C3 | 80.0 (4) |
C5—C6—H6 | 117.7 | C4—Ru1—C3 | 38.5 (4) |
C1—C6—H6 | 117.7 | C6—Ru1—C1 | 39.2 (4) |
Ru1—C6—H6 | 129.1 | C4—Ru1—C1 | 81.1 (4) |
C1—C7—H7A | 109.5 | C3—Ru1—C1 | 68.7 (4) |
C1—C7—H7B | 109.5 | C6—Ru1—C2 | 69.6 (4) |
H7A—C7—H7B | 109.5 | C4—Ru1—C2 | 69.8 (4) |
C1—C7—H7C | 109.5 | C3—Ru1—C2 | 38.5 (4) |
H7A—C7—H7C | 109.5 | C1—Ru1—C2 | 38.4 (4) |
H7B—C7—H7C | 109.5 | C6—Ru1—C5 | 36.3 (4) |
C2—C8—H8A | 109.5 | C4—Ru1—C5 | 37.1 (4) |
C2—C8—H8B | 109.5 | C3—Ru1—C5 | 68.6 (4) |
H8A—C8—H8B | 109.5 | C1—Ru1—C5 | 69.1 (4) |
C2—C8—H8C | 109.5 | C2—Ru1—C5 | 82.6 (4) |
H8A—C8—H8C | 109.5 | C6—Ru1—Cl1 | 141.4 (3) |
H8B—C8—H8C | 109.5 | C4—Ru1—Cl1 | 89.4 (3) |
C4—C9—H9A | 109.5 | C3—Ru1—Cl1 | 99.4 (3) |
C4—C9—H9B | 109.5 | C1—Ru1—Cl1 | 168.1 (3) |
H9A—C9—H9B | 109.5 | C2—Ru1—Cl1 | 131.1 (3) |
C4—C9—H9C | 109.5 | C5—Ru1—Cl1 | 107.2 (3) |
H9A—C9—H9C | 109.5 | C6—Ru1—Cl3 | 128.8 (3) |
H9B—C9—H9C | 109.5 | C4—Ru1—Cl3 | 148.2 (3) |
C11—C10—C16 | 127.3 (11) | C3—Ru1—Cl3 | 111.0 (3) |
C11—C10—C15 | 117.5 (9) | C1—Ru1—Cl3 | 96.4 (3) |
C16—C10—C15 | 115.2 (12) | C2—Ru1—Cl3 | 88.5 (2) |
C11—C10—Ru3 | 71.1 (5) | C5—Ru1—Cl3 | 164.9 (3) |
C16—C10—Ru3 | 128.8 (6) | Cl1—Ru1—Cl3 | 87.82 (7) |
C15—C10—Ru3 | 70.3 (5) | C6—Ru1—Cl2 | 87.6 (3) |
C12—C11—C10 | 122.3 (9) | C4—Ru1—Cl2 | 130.3 (3) |
C12—C11—C17 | 119.2 (10) | C3—Ru1—Cl2 | 166.4 (2) |
C10—C11—C17 | 118.2 (11) | C1—Ru1—Cl2 | 104.8 (3) |
C12—C11—Ru3 | 71.5 (5) | C2—Ru1—Cl2 | 140.5 (3) |
C10—C11—Ru3 | 70.4 (5) | C5—Ru1—Cl2 | 98.1 (3) |
C17—C11—Ru3 | 126.8 (6) | Cl1—Ru1—Cl2 | 86.79 (7) |
C11—C12—C13 | 122.2 (10) | Cl3—Ru1—Cl2 | 81.11 (6) |
C11—C12—Ru3 | 71.7 (5) | C24—Ru2—C21 | 80.2 (3) |
C13—C12—Ru3 | 73.0 (5) | C24—Ru2—C23 | 38.4 (3) |
C11—C12—H12 | 118.9 | C21—Ru2—C23 | 67.8 (3) |
C13—C12—H12 | 118.9 | C24—Ru2—C19 | 37.8 (3) |
Ru3—C12—H12 | 128.8 | C21—Ru2—C19 | 68.9 (3) |
C12—C13—C14 | 118.0 (10) | C23—Ru2—C19 | 69.3 (3) |
C12—C13—C18 | 120.8 (9) | C24—Ru2—C22 | 68.3 (3) |
C14—C13—C18 | 121.1 (8) | C21—Ru2—C22 | 38.5 (3) |
C12—C13—Ru3 | 70.2 (5) | C23—Ru2—C22 | 37.0 (3) |
C14—C13—Ru3 | 69.0 (4) | C19—Ru2—C22 | 82.3 (3) |
C18—C13—Ru3 | 128.7 (6) | C24—Ru2—C20 | 68.2 (3) |
C15—C14—C13 | 122.5 (8) | C21—Ru2—C20 | 37.5 (3) |
C15—C14—Ru3 | 71.3 (4) | C23—Ru2—C20 | 81.0 (3) |
C13—C14—Ru3 | 72.4 (4) | C19—Ru2—C20 | 38.7 (3) |
C15—C14—H14 | 118.7 | C22—Ru2—C20 | 69.1 (3) |
C13—C14—H14 | 118.7 | C24—Ru2—Cl4 | 125.5 (2) |
Ru3—C14—H14 | 130.3 | C21—Ru2—Cl4 | 112.2 (2) |
C14—C15—C10 | 117.4 (9) | C23—Ru2—Cl4 | 163.7 (2) |
C14—C15—Ru3 | 70.6 (5) | C19—Ru2—Cl4 | 95.2 (2) |
C10—C15—Ru3 | 69.7 (5) | C22—Ru2—Cl4 | 149.38 (19) |
C14—C15—H15 | 121.3 | C20—Ru2—Cl4 | 89.9 (2) |
C10—C15—H15 | 121.3 | C24—Ru2—Cl3 | 146.1 (2) |
Ru3—C15—H15 | 130.8 | C21—Ru2—Cl3 | 97.95 (19) |
C10—C16—H16A | 109.5 | C23—Ru2—Cl3 | 109.4 (2) |
C10—C16—H16B | 109.5 | C19—Ru2—Cl3 | 166.50 (19) |
H16A—C16—H16B | 109.5 | C22—Ru2—Cl3 | 89.15 (19) |
C10—C16—H16C | 109.5 | C20—Ru2—Cl3 | 128.14 (19) |
H16A—C16—H16C | 109.5 | Cl4—Ru2—Cl3 | 86.82 (7) |
H16B—C16—H16C | 109.5 | C24—Ru2—Cl2 | 89.9 (2) |
C11—C17—H17A | 109.5 | C21—Ru2—Cl2 | 160.7 (2) |
C11—C17—H17B | 109.5 | C23—Ru2—Cl2 | 94.23 (19) |
H17A—C17—H17B | 109.5 | C19—Ru2—Cl2 | 112.40 (19) |
C11—C17—H17C | 109.5 | C22—Ru2—Cl2 | 122.3 (2) |
H17A—C17—H17C | 109.5 | C20—Ru2—Cl2 | 150.5 (2) |
H17B—C17—H17C | 109.5 | Cl4—Ru2—Cl2 | 86.97 (7) |
C13—C18—H18A | 109.5 | Cl3—Ru2—Cl2 | 81.01 (6) |
C13—C18—H18B | 109.5 | C14—Ru3—C10 | 69.7 (3) |
H18A—C18—H18B | 109.5 | C14—Ru3—C12 | 67.9 (3) |
C13—C18—H18C | 109.5 | C10—Ru3—C12 | 68.9 (4) |
H18A—C18—H18C | 109.5 | C14—Ru3—C15 | 38.1 (3) |
H18B—C18—H18C | 109.5 | C10—Ru3—C15 | 39.9 (4) |
C24—C19—C20 | 117.4 (7) | C12—Ru3—C15 | 82.1 (4) |
C24—C19—C25 | 121.0 (7) | C14—Ru3—C11 | 80.1 (3) |
C20—C19—C25 | 121.6 (7) | C10—Ru3—C11 | 38.5 (4) |
C24—C19—Ru2 | 69.5 (4) | C12—Ru3—C11 | 36.8 (4) |
C20—C19—Ru2 | 71.3 (4) | C15—Ru3—C11 | 69.9 (3) |
C25—C19—Ru2 | 127.8 (5) | C14—Ru3—C13 | 38.6 (3) |
C21—C20—C19 | 118.8 (7) | C10—Ru3—C13 | 82.1 (4) |
C21—C20—C26 | 120.0 (7) | C12—Ru3—C13 | 36.7 (3) |
C19—C20—C26 | 121.1 (7) | C15—Ru3—C13 | 69.8 (3) |
C21—C20—Ru2 | 69.7 (4) | C11—Ru3—C13 | 66.7 (4) |
C19—C20—Ru2 | 70.0 (4) | C14—Ru3—Cl6 | 92.7 (3) |
C26—C20—Ru2 | 129.0 (5) | C10—Ru3—Cl6 | 160.5 (3) |
C20—C21—C22 | 122.9 (7) | C12—Ru3—Cl6 | 113.1 (3) |
C20—C21—Ru2 | 72.8 (4) | C15—Ru3—Cl6 | 120.6 (3) |
C22—C21—Ru2 | 72.2 (4) | C11—Ru3—Cl6 | 149.5 (3) |
C20—C21—H21 | 118.6 | C13—Ru3—Cl6 | 89.3 (3) |
C22—C21—H21 | 118.6 | C14—Ru3—Cl5i | 161.5 (2) |
Ru2—C21—H21 | 128.9 | C10—Ru3—Cl5i | 111.6 (3) |
C23—C22—C21 | 117.6 (7) | C12—Ru3—Cl5i | 94.9 (3) |
C23—C22—C27 | 122.8 (7) | C15—Ru3—Cl5i | 150.4 (3) |
C21—C22—C27 | 119.5 (6) | C11—Ru3—Cl5i | 90.1 (2) |
C23—C22—Ru2 | 70.6 (4) | C13—Ru3—Cl5i | 123.0 (2) |
C21—C22—Ru2 | 69.3 (4) | Cl6—Ru3—Cl5i | 87.71 (7) |
C27—C22—Ru2 | 128.3 (5) | C14—Ru3—Cl5 | 117.9 (2) |
C22—C23—C24 | 120.2 (7) | C10—Ru3—Cl5 | 93.6 (3) |
C22—C23—Ru2 | 72.4 (4) | C12—Ru3—Cl5 | 159.2 (3) |
C24—C23—Ru2 | 69.5 (4) | C15—Ru3—Cl5 | 91.8 (2) |
C22—C23—H23 | 119.9 | C11—Ru3—Cl5 | 122.5 (3) |
C24—C23—H23 | 119.9 | C13—Ru3—Cl5 | 155.9 (2) |
Ru2—C23—H23 | 130.9 | Cl6—Ru3—Cl5 | 87.15 (7) |
C19—C24—C23 | 123.1 (7) | Cl5i—Ru3—Cl5 | 80.64 (7) |
C19—C24—Ru2 | 72.7 (4) | ||
C7—C1—C2—C3 | 176.3 (7) | C19—C24—Ru2—Cl2 | −128.6 (4) |
C6—C1—C2—C3 | 1.4 (10) | C23—C24—Ru2—Cl2 | 96.9 (4) |
Ru1—C1—C2—C3 | 54.1 (6) | C20—C21—Ru2—C24 | −66.9 (5) |
C7—C1—C2—C8 | −2.9 (12) | C22—C21—Ru2—C24 | 67.2 (4) |
C6—C1—C2—C8 | −177.8 (7) | C20—C21—Ru2—C23 | −104.8 (5) |
Ru1—C1—C2—C8 | −125.1 (8) | C22—C21—Ru2—C23 | 29.3 (4) |
C7—C1—C2—Ru1 | 122.2 (8) | C20—C21—Ru2—C19 | −29.4 (4) |
C6—C1—C2—Ru1 | −52.7 (6) | C22—C21—Ru2—C19 | 104.7 (5) |
C1—C2—C3—C4 | −1.7 (11) | C20—C21—Ru2—C22 | −134.1 (6) |
C8—C2—C3—C4 | 177.6 (7) | C22—C21—Ru2—C20 | 134.1 (6) |
Ru1—C2—C3—C4 | 52.6 (7) | C20—C21—Ru2—Cl4 | 57.6 (4) |
C1—C2—C3—Ru1 | −54.2 (6) | C22—C21—Ru2—Cl4 | −168.3 (3) |
C8—C2—C3—Ru1 | 125.0 (7) | C20—C21—Ru2—Cl3 | 147.4 (4) |
C2—C3—C4—C5 | 1.6 (12) | C22—C21—Ru2—Cl3 | −78.5 (4) |
Ru1—C3—C4—C5 | 54.4 (7) | C20—C21—Ru2—Cl2 | −127.1 (6) |
C2—C3—C4—C9 | −175.3 (9) | C22—C21—Ru2—Cl2 | 7.0 (8) |
Ru1—C3—C4—C9 | −122.5 (10) | C22—C23—Ru2—C24 | −133.1 (6) |
C2—C3—C4—Ru1 | −52.8 (7) | C22—C23—Ru2—C21 | −30.4 (4) |
C3—C4—C5—C6 | −1.3 (12) | C24—C23—Ru2—C21 | 102.7 (5) |
C9—C4—C5—C6 | 176.0 (9) | C22—C23—Ru2—C19 | −105.2 (5) |
Ru1—C4—C5—C6 | 52.2 (7) | C24—C23—Ru2—C19 | 27.8 (4) |
C3—C4—C5—Ru1 | −53.5 (7) | C24—C23—Ru2—C22 | 133.1 (6) |
C9—C4—C5—Ru1 | 123.8 (9) | C22—C23—Ru2—C20 | −67.0 (4) |
C4—C5—C6—C1 | 1.1 (13) | C24—C23—Ru2—C20 | 66.1 (4) |
Ru1—C5—C6—C1 | 53.6 (7) | C22—C23—Ru2—Cl4 | −123.9 (6) |
C4—C5—C6—Ru1 | −52.5 (7) | C24—C23—Ru2—Cl4 | 9.1 (9) |
C2—C1—C6—C5 | −1.2 (12) | C22—C23—Ru2—Cl3 | 60.4 (4) |
C7—C1—C6—C5 | −176.1 (8) | C24—C23—Ru2—Cl3 | −166.5 (4) |
Ru1—C1—C6—C5 | −54.8 (8) | C22—C23—Ru2—Cl2 | 142.4 (4) |
C2—C1—C6—Ru1 | 53.6 (6) | C24—C23—Ru2—Cl2 | −84.6 (4) |
C7—C1—C6—Ru1 | −121.3 (8) | C20—C19—Ru2—C24 | 130.1 (7) |
C16—C10—C11—C12 | 176.3 (8) | C25—C19—Ru2—C24 | −113.9 (8) |
C15—C10—C11—C12 | −3.1 (11) | C24—C19—Ru2—C21 | −101.6 (5) |
Ru3—C10—C11—C12 | 51.5 (7) | C20—C19—Ru2—C21 | 28.5 (5) |
C16—C10—C11—C17 | 2.8 (12) | C25—C19—Ru2—C21 | 144.5 (8) |
C15—C10—C11—C17 | −176.6 (7) | C24—C19—Ru2—C23 | −28.2 (4) |
Ru3—C10—C11—C17 | −122.1 (7) | C20—C19—Ru2—C23 | 101.8 (5) |
C16—C10—C11—Ru3 | 124.8 (8) | C25—C19—Ru2—C23 | −142.2 (7) |
C15—C10—C11—Ru3 | −54.6 (6) | C24—C19—Ru2—C22 | −64.1 (5) |
C10—C11—C12—C13 | 4.2 (12) | C20—C19—Ru2—C22 | 65.9 (5) |
C17—C11—C12—C13 | 177.6 (7) | C25—C19—Ru2—C22 | −178.1 (7) |
Ru3—C11—C12—C13 | 55.1 (7) | C24—C19—Ru2—C20 | −130.1 (7) |
C10—C11—C12—Ru3 | −51.0 (7) | C25—C19—Ru2—C20 | 116.0 (9) |
C17—C11—C12—Ru3 | 122.5 (7) | C24—C19—Ru2—Cl4 | 146.6 (4) |
C11—C12—C13—C14 | −3.0 (11) | C20—C19—Ru2—Cl4 | −83.3 (4) |
Ru3—C12—C13—C14 | 51.5 (6) | C25—C19—Ru2—Cl4 | 32.6 (7) |
C11—C12—C13—C18 | −178.5 (8) | C24—C19—Ru2—Cl3 | −115.4 (9) |
Ru3—C12—C13—C18 | −124.0 (7) | C20—C19—Ru2—Cl3 | 14.7 (12) |
C11—C12—C13—Ru3 | −54.5 (7) | C25—C19—Ru2—Cl3 | 130.7 (8) |
C12—C13—C14—C15 | 1.0 (11) | C24—C19—Ru2—Cl2 | 57.7 (5) |
C18—C13—C14—C15 | 176.6 (7) | C20—C19—Ru2—Cl2 | −172.2 (4) |
Ru3—C13—C14—C15 | 53.1 (6) | C25—C19—Ru2—Cl2 | −56.2 (7) |
C12—C13—C14—Ru3 | −52.1 (6) | C23—C22—Ru2—C24 | 29.2 (4) |
C18—C13—C14—Ru3 | 123.4 (7) | C21—C22—Ru2—C24 | −102.0 (4) |
C13—C14—C15—C10 | −0.2 (10) | C27—C22—Ru2—C24 | 146.2 (7) |
Ru3—C14—C15—C10 | 53.4 (6) | C23—C22—Ru2—C21 | 131.2 (6) |
C13—C14—C15—Ru3 | −53.6 (6) | C27—C22—Ru2—C21 | −111.9 (8) |
C11—C10—C15—C14 | 1.1 (10) | C21—C22—Ru2—C23 | −131.2 (6) |
C16—C10—C15—C14 | −178.4 (7) | C27—C22—Ru2—C23 | 116.9 (8) |
Ru3—C10—C15—C14 | −53.8 (6) | C23—C22—Ru2—C19 | 65.6 (5) |
C11—C10—C15—Ru3 | 55.0 (6) | C21—C22—Ru2—C19 | −65.6 (4) |
C16—C10—C15—Ru3 | −124.5 (7) | C27—C22—Ru2—C19 | −177.5 (7) |
C24—C19—C20—C21 | 2.3 (9) | C23—C22—Ru2—C20 | 103.3 (5) |
C25—C19—C20—C21 | −175.0 (7) | C21—C22—Ru2—C20 | −27.9 (4) |
Ru2—C19—C20—C21 | −51.5 (6) | C27—C22—Ru2—C20 | −139.8 (7) |
C24—C19—C20—C26 | 178.1 (7) | C23—C22—Ru2—Cl4 | 152.8 (4) |
C25—C19—C20—C26 | 0.7 (10) | C21—C22—Ru2—Cl4 | 21.6 (6) |
Ru2—C19—C20—C26 | 124.3 (7) | C27—C22—Ru2—Cl4 | −90.3 (7) |
C24—C19—C20—Ru2 | 53.8 (6) | C23—C22—Ru2—Cl3 | −124.9 (4) |
C25—C19—C20—Ru2 | −123.5 (7) | C21—C22—Ru2—Cl3 | 103.9 (4) |
C19—C20—C21—C22 | −2.9 (10) | C27—C22—Ru2—Cl3 | −7.9 (6) |
C26—C20—C21—C22 | −178.7 (6) | C23—C22—Ru2—Cl2 | −46.1 (5) |
Ru2—C20—C21—C22 | −54.5 (6) | C21—C22—Ru2—Cl2 | −177.3 (3) |
C19—C20—C21—Ru2 | 51.6 (6) | C27—C22—Ru2—Cl2 | 70.9 (7) |
C26—C20—C21—Ru2 | −124.2 (6) | C21—C20—Ru2—C24 | 102.7 (5) |
C20—C21—C22—C23 | 1.6 (10) | C19—C20—Ru2—C24 | −30.3 (5) |
Ru2—C21—C22—C23 | −53.2 (5) | C26—C20—Ru2—C24 | −144.6 (8) |
C20—C21—C22—C27 | 177.9 (6) | C19—C20—Ru2—C21 | −133.0 (7) |
Ru2—C21—C22—C27 | 123.1 (6) | C26—C20—Ru2—C21 | 112.7 (8) |
C20—C21—C22—Ru2 | 54.8 (6) | C21—C20—Ru2—C23 | 65.0 (5) |
C21—C22—C23—C24 | 0.2 (9) | C19—C20—Ru2—C23 | −68.0 (5) |
C27—C22—C23—C24 | −176.0 (6) | C26—C20—Ru2—C23 | 177.7 (7) |
Ru2—C22—C23—C24 | −52.4 (6) | C21—C20—Ru2—C19 | 133.0 (7) |
C21—C22—C23—Ru2 | 52.6 (5) | C26—C20—Ru2—C19 | −114.3 (9) |
C27—C22—C23—Ru2 | −123.6 (6) | C21—C20—Ru2—C22 | 28.6 (4) |
C20—C19—C24—C23 | −0.6 (10) | C19—C20—Ru2—C22 | −104.4 (5) |
C25—C19—C24—C23 | 176.7 (7) | C26—C20—Ru2—C22 | 141.3 (7) |
Ru2—C19—C24—C23 | 54.1 (6) | C21—C20—Ru2—Cl4 | −128.6 (4) |
C20—C19—C24—Ru2 | −54.7 (5) | C19—C20—Ru2—Cl4 | 98.4 (4) |
C25—C19—C24—Ru2 | 122.6 (7) | C26—C20—Ru2—Cl4 | −15.9 (7) |
C22—C23—C24—C19 | −0.6 (10) | C21—C20—Ru2—Cl3 | −42.7 (5) |
Ru2—C23—C24—C19 | −54.3 (6) | C19—C20—Ru2—Cl3 | −175.7 (4) |
C22—C23—C24—Ru2 | 53.7 (6) | C26—C20—Ru2—Cl3 | 70.0 (8) |
C5—C6—Ru1—C4 | 29.6 (6) | C21—C20—Ru2—Cl2 | 147.7 (4) |
C1—C6—Ru1—C4 | −106.1 (7) | C19—C20—Ru2—Cl2 | 14.7 (7) |
C5—C6—Ru1—C3 | 67.3 (7) | C26—C20—Ru2—Cl2 | −99.6 (7) |
C1—C6—Ru1—C3 | −68.5 (6) | Ru1—Cl3—Ru2—C24 | 67.6 (4) |
C5—C6—Ru1—C1 | 135.7 (9) | Ru1—Cl3—Ru2—C21 | 151.8 (2) |
C5—C6—Ru1—C2 | 105.8 (7) | Ru1—Cl3—Ru2—C23 | 82.6 (2) |
C1—C6—Ru1—C2 | −29.9 (6) | Ru1—Cl3—Ru2—C19 | 164.8 (10) |
C1—C6—Ru1—C5 | −135.7 (9) | Ru1—Cl3—Ru2—C22 | 114.2 (2) |
C5—C6—Ru1—Cl1 | −25.3 (9) | Ru1—Cl3—Ru2—C20 | 176.5 (3) |
C1—C6—Ru1—Cl1 | −161.0 (4) | Ru1—Cl3—Ru2—Cl4 | −96.15 (7) |
C5—C6—Ru1—Cl3 | 176.3 (5) | Ru1—Cl3—Ru2—Cl2 | −8.72 (7) |
C1—C6—Ru1—Cl3 | 40.6 (7) | Ru1—Cl2—Ru2—C24 | −138.5 (2) |
C5—C6—Ru1—Cl2 | −107.1 (6) | Ru1—Cl2—Ru2—C21 | −79.7 (6) |
C1—C6—Ru1—Cl2 | 117.2 (6) | Ru1—Cl2—Ru2—C23 | −100.3 (2) |
C5—C4—Ru1—C6 | −29.0 (6) | Ru1—Cl2—Ru2—C19 | −169.7 (2) |
C3—C4—Ru1—C6 | 104.8 (7) | Ru1—Cl2—Ru2—C22 | −74.5 (2) |
C9—C4—Ru1—C6 | −134.8 (12) | Ru1—Cl2—Ru2—C20 | −179.6 (4) |
C5—C4—Ru1—C3 | −133.8 (10) | Ru1—Cl2—Ru2—Cl4 | 95.95 (8) |
C9—C4—Ru1—C3 | 120.4 (13) | Ru1—Cl2—Ru2—Cl3 | 8.69 (7) |
C5—C4—Ru1—C1 | −66.9 (7) | C15—C14—Ru3—C10 | −31.3 (6) |
C3—C4—Ru1—C1 | 66.9 (6) | C13—C14—Ru3—C10 | 103.3 (6) |
C9—C4—Ru1—C1 | −172.7 (12) | C15—C14—Ru3—C12 | −106.1 (6) |
C5—C4—Ru1—C2 | −105.0 (7) | C13—C14—Ru3—C12 | 28.6 (6) |
C3—C4—Ru1—C2 | 28.8 (6) | C13—C14—Ru3—C15 | 134.6 (8) |
C9—C4—Ru1—C2 | 149.2 (12) | C15—C14—Ru3—C11 | −69.8 (6) |
C3—C4—Ru1—C5 | 133.8 (10) | C13—C14—Ru3—C11 | 64.8 (6) |
C9—C4—Ru1—C5 | −105.8 (13) | C15—C14—Ru3—C13 | −134.6 (8) |
C5—C4—Ru1—Cl1 | 120.3 (6) | C15—C14—Ru3—Cl6 | 140.0 (5) |
C3—C4—Ru1—Cl1 | −105.9 (6) | C13—C14—Ru3—Cl6 | −85.4 (5) |
C9—C4—Ru1—Cl1 | 14.5 (11) | C15—C14—Ru3—Cl5i | −129.0 (7) |
C5—C4—Ru1—Cl3 | −154.7 (6) | C13—C14—Ru3—Cl5i | 5.6 (12) |
C3—C4—Ru1—Cl3 | −21.0 (10) | C15—C14—Ru3—Cl5 | 51.8 (6) |
C9—C4—Ru1—Cl3 | 99.4 (11) | C13—C14—Ru3—Cl5 | −173.6 (5) |
C5—C4—Ru1—Cl2 | 35.0 (8) | C11—C10—Ru3—C14 | −99.9 (6) |
C3—C4—Ru1—Cl2 | 168.8 (5) | C16—C10—Ru3—C14 | 137.0 (13) |
C9—C4—Ru1—Cl2 | −70.8 (12) | C15—C10—Ru3—C14 | 30.0 (5) |
C4—C3—Ru1—C6 | −63.7 (6) | C11—C10—Ru3—C12 | −26.6 (5) |
C2—C3—Ru1—C6 | 69.7 (6) | C16—C10—Ru3—C12 | −149.7 (13) |
C2—C3—Ru1—C4 | 133.4 (8) | C15—C10—Ru3—C12 | 103.3 (6) |
C4—C3—Ru1—C1 | −102.9 (7) | C11—C10—Ru3—C15 | −129.9 (8) |
C2—C3—Ru1—C1 | 30.6 (5) | C16—C10—Ru3—C15 | 107.0 (15) |
C4—C3—Ru1—C2 | −133.4 (8) | C16—C10—Ru3—C11 | −123.1 (14) |
C4—C3—Ru1—C5 | −27.9 (6) | C15—C10—Ru3—C11 | 129.9 (8) |
C2—C3—Ru1—C5 | 105.6 (6) | C11—C10—Ru3—C13 | −62.1 (6) |
C4—C3—Ru1—Cl1 | 77.1 (6) | C16—C10—Ru3—C13 | 174.8 (13) |
C2—C3—Ru1—Cl1 | −149.5 (5) | C15—C10—Ru3—C13 | 67.8 (5) |
C4—C3—Ru1—Cl3 | 168.3 (5) | C11—C10—Ru3—Cl6 | −126.6 (9) |
C2—C3—Ru1—Cl3 | −58.2 (5) | C16—C10—Ru3—Cl6 | 110.3 (11) |
C4—C3—Ru1—Cl2 | −39.2 (17) | C15—C10—Ru3—Cl6 | 3.3 (13) |
C2—C3—Ru1—Cl2 | 94.3 (14) | C11—C10—Ru3—Cl5i | 60.3 (6) |
C2—C1—Ru1—C6 | −131.2 (8) | C16—C10—Ru3—Cl5i | −62.8 (13) |
C7—C1—Ru1—C6 | 113.7 (13) | C15—C10—Ru3—Cl5i | −169.8 (5) |
C2—C1—Ru1—C4 | −68.6 (6) | C11—C10—Ru3—Cl5 | 141.7 (5) |
C7—C1—Ru1—C4 | 176.4 (12) | C16—C10—Ru3—Cl5 | 18.6 (12) |
C6—C1—Ru1—C4 | 62.7 (6) | C15—C10—Ru3—Cl5 | −88.4 (5) |
C2—C1—Ru1—C3 | −30.7 (5) | C11—C12—Ru3—C14 | 103.5 (6) |
C7—C1—Ru1—C3 | −145.7 (12) | C13—C12—Ru3—C14 | −29.9 (6) |
C6—C1—Ru1—C3 | 100.6 (7) | C11—C12—Ru3—C10 | 27.7 (5) |
C7—C1—Ru1—C2 | −115.1 (13) | C13—C12—Ru3—C10 | −105.7 (7) |
C6—C1—Ru1—C2 | 131.2 (8) | C11—C12—Ru3—C15 | 66.8 (6) |
C2—C1—Ru1—C5 | −105.0 (6) | C13—C12—Ru3—C15 | −66.6 (6) |
C7—C1—Ru1—C5 | 139.9 (12) | C13—C12—Ru3—C11 | −133.4 (9) |
C6—C1—Ru1—C5 | 26.3 (6) | C11—C12—Ru3—C13 | 133.4 (9) |
C2—C1—Ru1—Cl1 | −31.0 (17) | C11—C12—Ru3—Cl6 | −173.2 (5) |
C7—C1—Ru1—Cl1 | −146.1 (10) | C13—C12—Ru3—Cl6 | 53.4 (6) |
C6—C1—Ru1—Cl1 | 100.2 (15) | C11—C12—Ru3—Cl5i | −83.6 (5) |
C2—C1—Ru1—Cl3 | 79.4 (5) | C13—C12—Ru3—Cl5i | 143.0 (6) |
C7—C1—Ru1—Cl3 | −35.6 (11) | C11—C12—Ru3—Cl5 | −7.0 (11) |
C6—C1—Ru1—Cl3 | −149.3 (6) | C13—C12—Ru3—Cl5 | −140.5 (6) |
C2—C1—Ru1—Cl2 | 161.9 (5) | C10—C15—Ru3—C14 | −130.5 (8) |
C7—C1—Ru1—Cl2 | 46.8 (11) | C14—C15—Ru3—C10 | 130.5 (8) |
C6—C1—Ru1—Cl2 | −66.9 (6) | C14—C15—Ru3—C12 | 64.0 (6) |
C1—C2—Ru1—C6 | 30.5 (6) | C10—C15—Ru3—C12 | −66.5 (6) |
C3—C2—Ru1—C6 | −99.8 (6) | C14—C15—Ru3—C11 | 99.9 (6) |
C8—C2—Ru1—C6 | 147.9 (12) | C10—C15—Ru3—C11 | −30.6 (6) |
C1—C2—Ru1—C4 | 101.5 (6) | C14—C15—Ru3—C13 | 28.2 (5) |
C3—C2—Ru1—C4 | −28.8 (5) | C10—C15—Ru3—C13 | −102.3 (6) |
C8—C2—Ru1—C4 | −141.1 (12) | C14—C15—Ru3—Cl6 | −48.2 (6) |
C1—C2—Ru1—C3 | 130.3 (8) | C10—C15—Ru3—Cl6 | −178.7 (5) |
C8—C2—Ru1—C3 | −112.3 (13) | C14—C15—Ru3—Cl5i | 150.0 (4) |
C3—C2—Ru1—C1 | −130.3 (8) | C10—C15—Ru3—Cl5i | 19.5 (8) |
C8—C2—Ru1—C1 | 117.4 (13) | C14—C15—Ru3—Cl5 | −136.0 (5) |
C1—C2—Ru1—C5 | 65.5 (6) | C10—C15—Ru3—Cl5 | 93.5 (5) |
C3—C2—Ru1—C5 | −64.8 (6) | C12—C11—Ru3—C14 | −66.1 (6) |
C8—C2—Ru1—C5 | −177.1 (11) | C10—C11—Ru3—C14 | 69.7 (5) |
C1—C2—Ru1—Cl1 | 171.9 (4) | C17—C11—Ru3—C14 | −179.2 (12) |
C3—C2—Ru1—Cl1 | 41.7 (6) | C12—C11—Ru3—C10 | −135.8 (8) |
C8—C2—Ru1—Cl1 | −70.6 (11) | C17—C11—Ru3—C10 | 111.1 (14) |
C1—C2—Ru1—Cl3 | −102.3 (5) | C10—C11—Ru3—C12 | 135.8 (8) |
C3—C2—Ru1—Cl3 | 127.5 (5) | C17—C11—Ru3—C12 | −113.1 (13) |
C8—C2—Ru1—Cl3 | 15.2 (11) | C12—C11—Ru3—C15 | −104.2 (6) |
C1—C2—Ru1—Cl2 | −28.2 (7) | C10—C11—Ru3—C15 | 31.6 (5) |
C3—C2—Ru1—Cl2 | −158.4 (4) | C17—C11—Ru3—C15 | 142.8 (12) |
C8—C2—Ru1—Cl2 | 89.3 (11) | C12—C11—Ru3—C13 | −28.2 (5) |
C4—C5—Ru1—C6 | 131.6 (10) | C10—C11—Ru3—C13 | 107.6 (6) |
C6—C5—Ru1—C4 | −131.6 (10) | C17—C11—Ru3—C13 | −141.3 (12) |
C6—C5—Ru1—C3 | −102.7 (7) | C12—C11—Ru3—Cl6 | 12.4 (8) |
C4—C5—Ru1—C3 | 28.9 (7) | C10—C11—Ru3—Cl6 | 148.2 (5) |
C6—C5—Ru1—C1 | −28.2 (6) | C17—C11—Ru3—Cl6 | −100.7 (12) |
C4—C5—Ru1—C1 | 103.4 (7) | C12—C11—Ru3—Cl5i | 98.1 (5) |
C6—C5—Ru1—C2 | −65.5 (7) | C10—C11—Ru3—Cl5i | −126.1 (5) |
C4—C5—Ru1—C2 | 66.1 (7) | C17—C11—Ru3—Cl5i | −15.0 (11) |
C6—C5—Ru1—Cl1 | 163.8 (6) | C12—C11—Ru3—Cl5 | 177.0 (5) |
C4—C5—Ru1—Cl1 | −64.7 (7) | C10—C11—Ru3—Cl5 | −47.1 (6) |
C6—C5—Ru1—Cl3 | −11.1 (15) | C17—C11—Ru3—Cl5 | 64.0 (12) |
C4—C5—Ru1—Cl3 | 120.5 (11) | C12—C13—Ru3—C14 | 132.2 (9) |
C6—C5—Ru1—Cl2 | 74.6 (6) | C18—C13—Ru3—C14 | −113.6 (10) |
C4—C5—Ru1—Cl2 | −153.8 (6) | C12—C13—Ru3—C10 | 65.1 (7) |
Ru2—Cl3—Ru1—C6 | 88.3 (3) | C14—C13—Ru3—C10 | −67.2 (6) |
Ru2—Cl3—Ru1—C4 | −163.8 (6) | C18—C13—Ru3—C10 | 179.2 (8) |
Ru2—Cl3—Ru1—C3 | −177.6 (3) | C14—C13—Ru3—C12 | −132.2 (9) |
Ru2—Cl3—Ru1—C1 | 112.8 (3) | C18—C13—Ru3—C12 | 114.2 (10) |
Ru2—Cl3—Ru1—C2 | 150.4 (3) | C12—C13—Ru3—C15 | 104.3 (7) |
Ru2—Cl3—Ru1—C5 | 96.7 (11) | C14—C13—Ru3—C15 | −27.9 (5) |
Ru2—Cl3—Ru1—Cl1 | −78.38 (8) | C18—C13—Ru3—C15 | −141.5 (8) |
Ru2—Cl3—Ru1—Cl2 | 8.72 (7) | C12—C13—Ru3—C11 | 28.3 (6) |
Ru2—Cl2—Ru1—C6 | −138.6 (3) | C14—C13—Ru3—C11 | −104.0 (6) |
Ru2—Cl2—Ru1—C4 | 166.1 (4) | C18—C13—Ru3—C11 | 142.4 (8) |
Ru2—Cl2—Ru1—C3 | −162.8 (14) | C12—C13—Ru3—Cl6 | −132.4 (6) |
Ru2—Cl2—Ru1—C1 | −103.1 (3) | C14—C13—Ru3—Cl6 | 95.3 (5) |
Ru2—Cl2—Ru1—C2 | −85.4 (4) | C18—C13—Ru3—Cl6 | −18.3 (7) |
Ru2—Cl2—Ru1—C5 | −173.4 (3) | C12—C13—Ru3—Cl5i | −45.7 (7) |
Ru2—Cl2—Ru1—Cl1 | 79.59 (7) | C14—C13—Ru3—Cl5i | −177.9 (4) |
Ru2—Cl2—Ru1—Cl3 | −8.70 (7) | C18—C13—Ru3—Cl5i | 68.5 (8) |
C19—C24—Ru2—C21 | 68.1 (5) | C12—C13—Ru3—Cl5 | 146.3 (6) |
C23—C24—Ru2—C21 | −66.5 (4) | C14—C13—Ru3—Cl5 | 14.0 (10) |
C19—C24—Ru2—C23 | 134.5 (6) | C18—C13—Ru3—Cl5 | −99.6 (9) |
C23—C24—Ru2—C19 | −134.5 (6) | Ru3i—Cl5—Ru3—C14 | 179.7 (3) |
C19—C24—Ru2—C22 | 106.2 (5) | Ru3i—Cl5—Ru3—C10 | −111.3 (3) |
C23—C24—Ru2—C22 | −28.3 (4) | Ru3i—Cl5—Ru3—C12 | −79.1 (7) |
C19—C24—Ru2—C20 | 31.0 (4) | Ru3i—Cl5—Ru3—C15 | −151.3 (3) |
C23—C24—Ru2—C20 | −103.5 (5) | Ru3i—Cl5—Ru3—C11 | −84.1 (3) |
C19—C24—Ru2—Cl4 | −42.3 (5) | Ru3i—Cl5—Ru3—C13 | 169.9 (6) |
C23—C24—Ru2—Cl4 | −176.9 (3) | Ru3i—Cl5—Ru3—Cl6 | 88.14 (8) |
C19—C24—Ru2—Cl3 | 157.8 (3) | Ru3i—Cl5—Ru3—Cl5i | 0.0 |
C23—C24—Ru2—Cl3 | 23.2 (6) |
Symmetry code: (i) −x+2, −y+1, −z+1. |
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