Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806020186/dn2040sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806020186/dn2040Isup2.hkl |
CCDC reference: 613660
Data collection: SMART (Bruker, 1999); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXTL (Bruker, 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Ru(C5H5)I(CO)2] | F(000) = 640 |
Mr = 349.08 | Dx = 2.594 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4211 reflections |
a = 6.7702 (2) Å | θ = 2.6–28.3° |
b = 10.0609 (3) Å | µ = 5.16 mm−1 |
c = 13.4272 (4) Å | T = 173 K |
β = 102.257 (2)° | Plate, orange |
V = 893.74 (5) Å3 | 0.31 × 0.26 × 0.11 mm |
Z = 4 |
Bruker SMART CCD area-detector diffractometer | 2139 independent reflections |
Radiation source: fine-focus sealed tube | 1898 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.019 |
φ and ω scans | θmax = 28.0°, θmin = 2.6° |
Absorption correction: multi-scan (SADABS; Bruker, 1999) | h = −8→8 |
Tmin = 0.220, Tmax = 0.571 | k = −12→13 |
6750 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)] = 0.031 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.101 | H-atom parameters constrained |
S = 1.23 | w = 1/[σ2(Fo2) + (0.0413P)2 + 5.0769P] where P = (Fo2 + 2Fc2)/3 |
2139 reflections | (Δ/σ)max = 0.001 |
128 parameters | Δρmax = 1.37 e Å−3 |
140 restraints | Δρmin = −1.28 e Å−3 |
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 | Occ. (<1) | |
C1 | 0.3432 (19) | 0.1125 (6) | 0.0831 (6) | 0.043 (3) | 0.74 (2) |
H1 | 0.3844 | 0.0221 | 0.0858 | 0.051* | 0.74 (2) |
C2 | 0.4714 (8) | 0.2248 (13) | 0.0865 (5) | 0.044 (3) | 0.74 (2) |
H2 | 0.6136 | 0.2227 | 0.0919 | 0.052* | 0.74 (2) |
C3 | 0.3499 (17) | 0.3408 (6) | 0.0804 (7) | 0.041 (3) | 0.74 (2) |
H3 | 0.3965 | 0.4299 | 0.0811 | 0.049* | 0.74 (2) |
C4 | 0.1465 (12) | 0.3001 (10) | 0.0733 (7) | 0.042 (3) | 0.74 (2) |
H4 | 0.0331 | 0.3573 | 0.0683 | 0.050* | 0.74 (2) |
C5 | 0.1423 (13) | 0.1590 (10) | 0.0750 (6) | 0.042 (3) | 0.74 (2) |
H5 | 0.0257 | 0.1052 | 0.0713 | 0.050* | 0.74 (2) |
C1A | 0.412 (4) | 0.154 (3) | 0.0827 (19) | 0.040 (6) | 0.26 (2) |
H1A | 0.5277 | 0.0998 | 0.0846 | 0.048* | 0.26 (2) |
C2A | 0.407 (4) | 0.295 (3) | 0.079 (2) | 0.039 (6) | 0.26 (2) |
H2A | 0.5193 | 0.3517 | 0.0778 | 0.047* | 0.26 (2) |
C3A | 0.206 (5) | 0.3367 (17) | 0.077 (2) | 0.040 (6) | 0.26 (2) |
H3A | 0.1598 | 0.4260 | 0.0742 | 0.048* | 0.26 (2) |
C4A | 0.087 (2) | 0.221 (4) | 0.079 (2) | 0.047 (6) | 0.26 (2) |
H4A | −0.0540 | 0.2199 | 0.0788 | 0.057* | 0.26 (2) |
C5A | 0.214 (5) | 0.1085 (16) | 0.0830 (19) | 0.047 (7) | 0.26 (2) |
H5A | 0.1734 | 0.0183 | 0.0852 | 0.056* | 0.26 (2) |
C6 | 0.2397 (8) | 0.3652 (6) | 0.2999 (4) | 0.0300 (11) | |
C7 | 0.2404 (8) | 0.0981 (6) | 0.3033 (4) | 0.0315 (11) | |
O1 | 0.1863 (7) | 0.4484 (5) | 0.3476 (4) | 0.0459 (11) | |
O2 | 0.1904 (7) | 0.0169 (5) | 0.3555 (4) | 0.0460 (11) | |
Ru | 0.32219 (6) | 0.22949 (4) | 0.22280 (3) | 0.02413 (13) | |
I | 0.69450 (6) | 0.22874 (4) | 0.34517 (3) | 0.03686 (14) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.061 (8) | 0.040 (5) | 0.029 (4) | 0.010 (4) | 0.015 (5) | 0.000 (4) |
C2 | 0.040 (5) | 0.067 (8) | 0.025 (4) | 0.003 (4) | 0.011 (4) | 0.005 (5) |
C3 | 0.061 (7) | 0.036 (4) | 0.026 (4) | −0.005 (4) | 0.008 (5) | 0.005 (4) |
C4 | 0.041 (5) | 0.049 (6) | 0.029 (4) | 0.012 (5) | −0.007 (4) | 0.003 (5) |
C5 | 0.045 (5) | 0.049 (6) | 0.025 (4) | −0.013 (5) | −0.004 (4) | −0.005 (5) |
C1A | 0.047 (11) | 0.047 (12) | 0.030 (10) | 0.014 (10) | 0.017 (11) | 0.001 (12) |
C2A | 0.047 (11) | 0.046 (12) | 0.029 (10) | −0.013 (9) | 0.018 (11) | 0.003 (12) |
C3A | 0.058 (14) | 0.028 (9) | 0.033 (11) | 0.008 (9) | 0.006 (13) | −0.002 (9) |
C4A | 0.028 (9) | 0.052 (14) | 0.053 (13) | 0.003 (8) | −0.012 (10) | 0.008 (14) |
C5A | 0.057 (14) | 0.030 (9) | 0.049 (12) | −0.005 (9) | 0.004 (14) | 0.010 (11) |
C6 | 0.030 (3) | 0.039 (3) | 0.020 (2) | 0.001 (2) | 0.0035 (19) | 0.001 (2) |
C7 | 0.028 (3) | 0.040 (3) | 0.023 (2) | −0.001 (2) | −0.001 (2) | −0.004 (2) |
O1 | 0.048 (3) | 0.044 (3) | 0.047 (3) | 0.010 (2) | 0.011 (2) | −0.008 (2) |
O2 | 0.046 (3) | 0.048 (3) | 0.046 (3) | −0.010 (2) | 0.013 (2) | 0.007 (2) |
Ru | 0.0208 (2) | 0.0300 (2) | 0.0203 (2) | 0.00003 (15) | 0.00140 (15) | −0.00072 (15) |
I | 0.0230 (2) | 0.0471 (3) | 0.0363 (2) | 0.00057 (14) | −0.00299 (15) | −0.00223 (16) |
C1—C2 | 1.4200 | C2A—C3A | 1.4200 |
C1—C5 | 1.4200 | C2A—Ru | 2.23 (2) |
C1—Ru | 2.244 (7) | C2A—H2A | 0.9500 |
C1—H1 | 0.9500 | C3A—C4A | 1.4200 |
C2—C3 | 1.4200 | C3A—Ru | 2.23 (3) |
C2—Ru | 2.271 (6) | C3A—H3A | 0.9500 |
C2—H2 | 0.9500 | C4A—C5A | 1.4200 |
C3—C4 | 1.4200 | C4A—Ru | 2.23 (2) |
C3—Ru | 2.257 (8) | C4A—H4A | 0.9500 |
C3—H3 | 0.9500 | C5A—Ru | 2.23 (2) |
C4—C5 | 1.4200 | C5A—H5A | 0.9500 |
C4—Ru | 2.222 (8) | C6—O1 | 1.158 (7) |
C4—H4 | 0.9500 | C6—Ru | 1.869 (6) |
C5—Ru | 2.213 (7) | C7—O2 | 1.172 (7) |
C5—H5 | 0.9500 | C7—Ru | 1.865 (6) |
C1A—C2A | 1.4200 | I—Ru | 2.7009 (6) |
C1A—C5A | 1.4200 | Cg1—Ru | 1.888 (4) |
C1A—Ru | 2.23 (2) | Cg2—Ru | 1.874 (12) |
C1A—H1A | 0.9500 | ||
C2—C1—C5 | 108.0 | C7—Ru—C4 | 125.6 (4) |
C2—C1—Ru | 72.7 (3) | C6—Ru—C4 | 95.8 (2) |
C5—C1—Ru | 70.3 (3) | C5—Ru—C4 | 37.35 (12) |
C2—C1—H1 | 126.0 | C7—Ru—C4A | 103.2 (7) |
C5—C1—H1 | 126.0 | C6—Ru—C4A | 105.2 (8) |
Ru—C1—H1 | 122.7 | C5—Ru—C4A | 19.2 (7) |
C3—C2—C1 | 108.0 | C4—Ru—C4A | 23.4 (6) |
C3—C2—Ru | 71.2 (3) | C7—Ru—C5A | 90.9 (5) |
C1—C2—Ru | 70.6 (3) | C6—Ru—C5A | 141.5 (9) |
C3—C2—H2 | 126.0 | C5—Ru—C5A | 18.0 (6) |
C1—C2—H2 | 126.0 | C4—Ru—C5A | 52.8 (5) |
Ru—C2—H2 | 123.8 | C4A—Ru—C5A | 37.2 (3) |
C2—C3—C4 | 108.0 | C7—Ru—C3A | 139.5 (9) |
C2—C3—Ru | 72.3 (3) | C6—Ru—C3A | 92.5 (5) |
C4—C3—Ru | 70.2 (3) | C5—Ru—C3A | 48.9 (6) |
C2—C3—H3 | 126.0 | C4—Ru—C3A | 14.0 (7) |
C4—C3—H3 | 126.0 | C4A—Ru—C3A | 37.2 (4) |
Ru—C3—H3 | 123.2 | C5A—Ru—C3A | 62.1 (4) |
C5—C4—C3 | 108.0 | C7—Ru—C1A | 114.6 (9) |
C5—C4—Ru | 71.0 (3) | C6—Ru—C1A | 152.0 (8) |
C3—C4—Ru | 72.9 (3) | C5—Ru—C1A | 48.0 (6) |
C5—C4—H4 | 126.0 | C4—Ru—C1A | 62.4 (5) |
C3—C4—H4 | 126.0 | C4A—Ru—C1A | 62.1 (4) |
Ru—C4—H4 | 121.8 | C5A—Ru—C1A | 37.2 (3) |
C4—C5—C1 | 108.0 | C3A—Ru—C1A | 62.0 (4) |
C4—C5—Ru | 71.6 (3) | C7—Ru—C2A | 151.1 (7) |
C1—C5—Ru | 72.6 (3) | C6—Ru—C2A | 115.2 (9) |
C4—C5—H5 | 126.0 | C5—Ru—C2A | 60.8 (5) |
C1—C5—H5 | 126.0 | C4—Ru—C2A | 46.4 (6) |
Ru—C5—H5 | 121.5 | C4A—Ru—C2A | 62.1 (5) |
C2A—C1A—C5A | 108.0 | C5A—Ru—C2A | 62.0 (4) |
C2A—C1A—Ru | 71.5 (10) | C3A—Ru—C2A | 37.1 (4) |
C5A—C1A—Ru | 71.3 (8) | C1A—Ru—C2A | 37.1 (3) |
C2A—C1A—H1A | 126.0 | C7—Ru—C1 | 101.1 (3) |
C5A—C1A—H1A | 126.0 | C6—Ru—C1 | 157.7 (2) |
Ru—C1A—H1A | 122.9 | C5—Ru—C1 | 37.14 (11) |
C3A—C2A—C1A | 108.0 | C4—Ru—C1 | 61.93 (14) |
C3A—C2A—Ru | 71.3 (9) | C4A—Ru—C1 | 54.5 (6) |
C1A—C2A—Ru | 71.4 (10) | C5A—Ru—C1 | 22.6 (7) |
C3A—C2A—H2A | 126.0 | C3A—Ru—C1 | 65.9 (5) |
C1A—C2A—H2A | 126.0 | C1A—Ru—C1 | 16.1 (7) |
Ru—C2A—H2A | 122.9 | C2A—Ru—C1 | 50.0 (6) |
C4A—C3A—C2A | 108.0 | C7—Ru—C3 | 158.6 (2) |
C4A—C3A—Ru | 71.3 (9) | C6—Ru—C3 | 101.2 (3) |
C2A—C3A—Ru | 71.5 (8) | C5—Ru—C3 | 61.85 (15) |
C4A—C3A—H3A | 126.0 | C4—Ru—C3 | 36.96 (13) |
C2A—C3A—H3A | 126.0 | C4A—Ru—C3 | 57.3 (6) |
Ru—C3A—H3A | 122.8 | C5A—Ru—C3 | 68.2 (5) |
C5A—C4A—C3A | 108.0 | C3A—Ru—C3 | 24.8 (7) |
C5A—C4A—Ru | 71.4 (10) | C1A—Ru—C3 | 50.8 (6) |
C3A—C4A—Ru | 71.5 (10) | C2A—Ru—C3 | 15.5 (7) |
C5A—C4A—H4A | 126.0 | C1—Ru—C3 | 61.39 (12) |
C3A—C4A—H4A | 126.0 | C7—Ru—C2 | 133.6 (4) |
Ru—C4A—H4A | 122.7 | C6—Ru—C2 | 134.3 (4) |
C4A—C5A—C1A | 108.0 | C5—Ru—C2 | 61.63 (13) |
C4A—C5A—Ru | 71.4 (10) | C4—Ru—C2 | 61.51 (14) |
C1A—C5A—Ru | 71.5 (8) | C4A—Ru—C2 | 70.2 (6) |
C4A—C5A—H5A | 126.0 | C5A—Ru—C2 | 55.4 (7) |
C1A—C5A—H5A | 126.0 | C3A—Ru—C2 | 55.6 (6) |
Ru—C5A—H5A | 122.8 | C1A—Ru—C2 | 20.8 (7) |
O1—C6—Ru | 179.1 (5) | C2A—Ru—C2 | 21.1 (7) |
O2—C7—Ru | 178.7 (5) | C1—Ru—C2 | 36.66 (10) |
C7—Ru—C6 | 92.1 (2) | C3—Ru—C2 | 36.55 (10) |
C7—Ru—C5 | 96.8 (2) | C7—Ru—O2 | 178.7 (5) |
C6—Ru—C5 | 123.9 (4) | C6—Ru—O1 | 179.1 (5) |
C5—C1—C2—C3 | 0.0 | C2A—C3A—Ru—C5 | −94.6 (9) |
Ru—C1—C2—C3 | −61.7 (3) | C4A—C3A—Ru—C4 | −8 (2) |
C5—C1—C2—Ru | 61.7 (3) | C2A—C3A—Ru—C4 | −125 (2) |
C1—C2—C3—C4 | 0.0 | C2A—C3A—Ru—C4A | −117.2 (5) |
Ru—C2—C3—C4 | −61.4 (3) | C4A—C3A—Ru—C5A | 37.5 (3) |
C1—C2—C3—Ru | 61.4 (3) | C2A—C3A—Ru—C5A | −79.7 (5) |
C2—C3—C4—C5 | 0.0 | C4A—C3A—Ru—C1A | 79.8 (6) |
Ru—C3—C4—C5 | −62.7 (3) | C2A—C3A—Ru—C1A | −37.4 (3) |
C2—C3—C4—Ru | 62.7 (3) | C4A—C3A—Ru—C2A | 117.2 (5) |
C3—C4—C5—C1 | 0.0 | C4A—C3A—Ru—C1 | 62.3 (9) |
Ru—C4—C5—C1 | −64.0 (3) | C2A—C3A—Ru—C1 | −54.9 (9) |
C3—C4—C5—Ru | 64.0 (3) | C4A—C3A—Ru—C3 | 135.9 (15) |
C2—C1—C5—C4 | 0.0 | C2A—C3A—Ru—C3 | 18.7 (14) |
Ru—C1—C5—C4 | 63.3 (3) | C4A—C3A—Ru—C2 | 103.0 (9) |
C2—C1—C5—Ru | −63.3 (3) | C2A—C3A—Ru—C2 | −14.2 (9) |
C5A—C1A—C2A—C3A | 0.0 | C2A—C1A—Ru—C7 | 172.1 (13) |
Ru—C1A—C2A—C3A | −62.3 (8) | C5A—C1A—Ru—C7 | 54.9 (12) |
C5A—C1A—C2A—Ru | 62.3 (8) | C2A—C1A—Ru—C6 | 11 (3) |
C1A—C2A—C3A—C4A | 0.0 | C5A—C1A—Ru—C6 | −106 (3) |
Ru—C2A—C3A—C4A | −62.4 (9) | C2A—C1A—Ru—C5 | 95.8 (8) |
C1A—C2A—C3A—Ru | 62.4 (9) | C5A—C1A—Ru—C5 | −21.4 (7) |
C2A—C3A—C4A—C5A | 0.0 | C2A—C1A—Ru—C4 | 53.2 (9) |
Ru—C3A—C4A—C5A | −62.5 (9) | C5A—C1A—Ru—C4 | −64.0 (8) |
C2A—C3A—C4A—Ru | 62.5 (9) | C2A—C1A—Ru—C4A | 79.7 (6) |
C3A—C4A—C5A—C1A | 0.0 | C5A—C1A—Ru—C4A | −37.5 (4) |
Ru—C4A—C5A—C1A | −62.6 (9) | C2A—C1A—Ru—C5A | 117.2 (5) |
C3A—C4A—C5A—Ru | 62.6 (9) | C2A—C1A—Ru—C3A | 37.4 (4) |
C2A—C1A—C5A—C4A | 0.0 | C5A—C1A—Ru—C3A | −79.8 (5) |
Ru—C1A—C5A—C4A | 62.4 (10) | C5A—C1A—Ru—C2A | −117.2 (5) |
C2A—C1A—C5A—Ru | −62.4 (10) | C2A—C1A—Ru—C1 | 137.4 (19) |
C4—C5—Ru—C7 | 144.2 (5) | C5A—C1A—Ru—C1 | 20.1 (18) |
C1—C5—Ru—C7 | −99.4 (5) | C2A—C1A—Ru—C3 | 10.7 (10) |
C4—C5—Ru—C6 | 47.1 (5) | C5A—C1A—Ru—C3 | −106.5 (9) |
C1—C5—Ru—C6 | 163.5 (5) | C2A—C1A—Ru—C2 | −28.9 (18) |
C1—C5—Ru—C4 | 116.44 (13) | C5A—C1A—Ru—C2 | −146.1 (18) |
C4—C5—Ru—C4A | 33.2 (19) | C3A—C2A—Ru—C7 | 102 (3) |
C1—C5—Ru—C4A | 149.7 (19) | C1A—C2A—Ru—C7 | −15 (3) |
C4—C5—Ru—C5A | −144 (2) | C3A—C2A—Ru—C6 | −57.0 (14) |
C1—C5—Ru—C5A | −28 (2) | C1A—C2A—Ru—C6 | −174.3 (13) |
C4—C5—Ru—C3A | −11.6 (9) | C3A—C2A—Ru—C5 | 59.3 (8) |
C1—C5—Ru—C3A | 104.8 (9) | C1A—C2A—Ru—C5 | −57.9 (8) |
C4—C5—Ru—C1A | −98.7 (9) | C3A—C2A—Ru—C4 | 15.8 (9) |
C1—C5—Ru—C1A | 17.8 (9) | C1A—C2A—Ru—C4 | −101.4 (9) |
C4—C5—Ru—C2A | −55.2 (8) | C3A—C2A—Ru—C4A | 37.5 (4) |
C1—C5—Ru—C2A | 61.2 (8) | C1A—C2A—Ru—C4A | −79.8 (6) |
C4—C5—Ru—C1 | −116.44 (13) | C3A—C2A—Ru—C5A | 79.8 (5) |
C4—C5—Ru—C3 | −37.57 (13) | C1A—C2A—Ru—C5A | −37.4 (4) |
C1—C5—Ru—C3 | 78.87 (15) | C1A—C2A—Ru—C3A | −117.2 (4) |
C4—C5—Ru—C2 | −79.28 (18) | C3A—C2A—Ru—C1A | 117.2 (4) |
C1—C5—Ru—C2 | 37.15 (12) | C3A—C2A—Ru—C1 | 103.0 (9) |
C5—C4—Ru—C7 | −45.6 (5) | C1A—C2A—Ru—C1 | −14.2 (9) |
C3—C4—Ru—C7 | −162.2 (5) | C3A—C2A—Ru—C3 | −30 (2) |
C5—C4—Ru—C6 | −142.4 (5) | C1A—C2A—Ru—C3 | −148 (2) |
C3—C4—Ru—C6 | 101.0 (5) | C3A—C2A—Ru—C2 | 145.7 (18) |
C3—C4—Ru—C5 | −116.61 (14) | C1A—C2A—Ru—C2 | 28.5 (18) |
C5—C4—Ru—C4A | −27.0 (16) | C2—C1—Ru—C7 | −156.2 (5) |
C3—C4—Ru—C4A | −143.6 (16) | C5—C1—Ru—C7 | 86.7 (5) |
C5—C4—Ru—C5A | 13.1 (9) | C2—C1—Ru—C6 | 78.7 (13) |
C3—C4—Ru—C5A | −103.5 (9) | C5—C1—Ru—C6 | −38.4 (13) |
C5—C4—Ru—C3A | 141 (3) | C2—C1—Ru—C5 | 117.11 (17) |
C3—C4—Ru—C3A | 24 (3) | C2—C1—Ru—C4 | 79.11 (18) |
C5—C4—Ru—C1A | 56.0 (8) | C5—C1—Ru—C4 | −38.00 (10) |
C3—C4—Ru—C1A | −60.6 (9) | C2—C1—Ru—C4A | 105.3 (8) |
C5—C4—Ru—C2A | 97.9 (9) | C5—C1—Ru—C4A | −11.8 (8) |
C3—C4—Ru—C2A | −18.7 (9) | C2—C1—Ru—C5A | 139.1 (13) |
C5—C4—Ru—C1 | 37.79 (11) | C5—C1—Ru—C5A | 22.0 (12) |
C3—C4—Ru—C1 | −78.82 (15) | C2—C1—Ru—C3A | 64.2 (8) |
C5—C4—Ru—C3 | 116.61 (14) | C5—C1—Ru—C3A | −52.9 (8) |
C5—C4—Ru—C2 | 79.63 (18) | C2—C1—Ru—C1A | −8.1 (19) |
C3—C4—Ru—C2 | −36.98 (10) | C5—C1—Ru—C1A | −125.3 (19) |
C5A—C4A—Ru—C7 | −73.6 (13) | C2—C1—Ru—C2A | 24.1 (9) |
C3A—C4A—Ru—C7 | 169.3 (13) | C5—C1—Ru—C2A | −93.0 (9) |
C5A—C4A—Ru—C6 | −169.5 (13) | C2—C1—Ru—C3 | 36.90 (10) |
C3A—C4A—Ru—C6 | 73.4 (13) | C5—C1—Ru—C3 | −80.21 (19) |
C5A—C4A—Ru—C5 | −1.3 (16) | C5—C1—Ru—C2 | −117.11 (17) |
C3A—C4A—Ru—C5 | −118.4 (17) | C2—C3—Ru—C7 | −74.6 (13) |
C5A—C4A—Ru—C4 | 121.9 (15) | C4—C3—Ru—C7 | 42.8 (13) |
C3A—C4A—Ru—C4 | 4.8 (15) | C2—C3—Ru—C6 | 157.9 (5) |
C3A—C4A—Ru—C5A | −117.1 (4) | C4—C3—Ru—C6 | −84.7 (5) |
C5A—C4A—Ru—C3A | 117.1 (4) | C2—C3—Ru—C5 | −79.45 (19) |
C5A—C4A—Ru—C1A | 37.5 (4) | C4—C3—Ru—C5 | 37.97 (11) |
C3A—C4A—Ru—C1A | −79.7 (5) | C2—C3—Ru—C4 | −117.41 (15) |
C5A—C4A—Ru—C2A | 79.7 (6) | C2—C3—Ru—C4A | −101.1 (8) |
C3A—C4A—Ru—C2A | −37.4 (4) | C4—C3—Ru—C4A | 16.3 (8) |
C5A—C4A—Ru—C1 | 20.7 (9) | C2—C3—Ru—C5A | −60.9 (8) |
C3A—C4A—Ru—C1 | −96.4 (9) | C4—C3—Ru—C5A | 56.6 (8) |
C5A—C4A—Ru—C3 | 96.8 (9) | C2—C3—Ru—C3A | −131.1 (14) |
C3A—C4A—Ru—C3 | −20.3 (9) | C4—C3—Ru—C3A | −13.7 (13) |
C5A—C4A—Ru—C2 | 58.4 (9) | C2—C3—Ru—C1A | −22.3 (9) |
C3A—C4A—Ru—C2 | −58.7 (9) | C4—C3—Ru—C1A | 95.1 (9) |
C4A—C5A—Ru—C7 | 111.0 (13) | C2—C3—Ru—C2A | 2 (2) |
C1A—C5A—Ru—C7 | −131.9 (14) | C4—C3—Ru—C2A | 120 (2) |
C4A—C5A—Ru—C6 | 16.5 (18) | C2—C3—Ru—C1 | −37.00 (12) |
C1A—C5A—Ru—C6 | 133.6 (18) | C4—C3—Ru—C1 | 80.41 (16) |
C4A—C5A—Ru—C5 | 1.4 (17) | C4—C3—Ru—C2 | 117.41 (15) |
C1A—C5A—Ru—C5 | 118.5 (18) | C3—C2—Ru—C7 | 150.9 (5) |
C4A—C5A—Ru—C4 | −25.0 (9) | C1—C2—Ru—C7 | 33.1 (5) |
C1A—C5A—Ru—C4 | 92.1 (9) | C3—C2—Ru—C6 | −31.0 (6) |
C1A—C5A—Ru—C4A | 117.1 (5) | C1—C2—Ru—C6 | −148.7 (6) |
C4A—C5A—Ru—C3A | −37.5 (4) | C3—C2—Ru—C5 | 80.1 (2) |
C1A—C5A—Ru—C3A | 79.7 (5) | C1—C2—Ru—C5 | −37.65 (13) |
C4A—C5A—Ru—C1A | −117.1 (5) | C3—C2—Ru—C4 | 37.39 (13) |
C4A—C5A—Ru—C2A | −79.7 (6) | C1—C2—Ru—C4 | −80.35 (16) |
C1A—C5A—Ru—C2A | 37.4 (3) | C3—C2—Ru—C4A | 61.3 (7) |
C4A—C5A—Ru—C1 | −131.6 (14) | C1—C2—Ru—C4A | −56.5 (7) |
C1A—C5A—Ru—C1 | −14.4 (13) | C3—C2—Ru—C5A | 100.0 (7) |
C4A—C5A—Ru—C3 | −64.1 (9) | C1—C2—Ru—C5A | −17.8 (7) |
C1A—C5A—Ru—C3 | 53.1 (9) | C3—C2—Ru—C3A | 22.5 (8) |
C4A—C5A—Ru—C2 | −103.2 (9) | C1—C2—Ru—C3A | −95.2 (8) |
C1A—C5A—Ru—C2 | 13.9 (9) | C3—C2—Ru—C1A | 124.1 (15) |
C4A—C3A—Ru—C7 | −16.1 (17) | C1—C2—Ru—C1A | 6.4 (15) |
C2A—C3A—Ru—C7 | −133.3 (17) | C3—C2—Ru—C2A | −1.8 (16) |
C4A—C3A—Ru—C6 | −112.2 (14) | C1—C2—Ru—C2A | −119.5 (16) |
C2A—C3A—Ru—C6 | 130.6 (14) | C3—C2—Ru—C1 | 117.75 (15) |
C4A—C3A—Ru—C5 | 22.6 (9) | C1—C2—Ru—C3 | −117.75 (15) |