The meso form of the title planar chiral dinuclear arene–ruthenium complex, [Ru2Cl4(C9H12)2]·0.67CH2Cl2, is presented. There are one and a half independent dinuclear complexes and one dichloromethane molecule per asymmetric unit. The 1,2,4-trimethylbenzene ligands are involved in slipped-parallel π–π stacking interactions with neighbouring molecules, thus forming a series of one-dimensional multimers along the a axis.
Supporting information
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.
Di-µ-chloro-bis[chloro(
η6-1,2,4-
trimethylbenzene)ruthenium(II)]–dichloromethane (3/2)
top
Crystal data top
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 |
Data collection top
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 top
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 |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | 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) | |
Atomic displacement parameters (Å2) top | 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) |
Geometric parameters (Å, º) top
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. |