Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806003394/hk6077sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806003394/hk6077Isup2.hkl |
CCDC reference: 601192
Data collection: CrysAlis CCD (Oxford Diffraction, 2003); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and Mercury (Bruno et al., 2002); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON (Spek, 2003).
[FeRu(C3H5)(C5H5)(C10H15)(CO)4]PF6 | F(000) = 1312 |
Mr = 655.31 | Dx = 1.784 Mg m−3 |
Monoclinic, Cc | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: C -2yc | Cell parameters from 1090 reflections |
a = 21.246 (2) Å | θ = 2–32° |
b = 8.3301 (18) Å | µ = 1.35 mm−1 |
c = 16.459 (2) Å | T = 100 K |
β = 123.109 (6)° | Block, yellow |
V = 2440.0 (7) Å3 | 0.40 × 0.20 × 0.20 mm |
Z = 4 |
Oxford Excalibur2 diffractometer | 7095 independent reflections |
Radiation source: fine-focus sealed tube | 6827 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.021 |
ω scans | θmax = 31.9°, θmin = 4.6° |
Absorption correction: multi-scan (Blessing, 1995) | h = −30→31 |
Tmin = 0.608, Tmax = 0.766 | k = −12→9 |
11813 measured reflections | l = −23→23 |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.030 | H-atom parameters constrained |
wR(F2) = 0.078 | w = 1/[σ2(Fo2) + (0.055P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max = 0.024 |
7095 reflections | Δρmax = 0.80 e Å−3 |
336 parameters | Δρmin = −0.79 e Å−3 |
2 restraints | Absolute structure: Flack (1983); 3030 Friedel Pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: 0.007 (14) |
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 | ||
Fe | 0.613732 (19) | 0.07597 (4) | 0.71379 (2) | 0.01137 (7) | |
Ru | 0.885983 (6) | 0.04344 (2) | 0.792393 (7) | 0.01344 (5) | |
P | 0.21929 (4) | 0.03333 (7) | 0.56009 (5) | 0.01737 (12) | |
F1 | 0.15268 (14) | 0.0012 (4) | 0.45031 (19) | 0.0590 (7) | |
F2 | 0.17359 (13) | 0.1852 (3) | 0.56195 (15) | 0.0402 (5) | |
F3 | 0.26517 (12) | −0.1179 (2) | 0.55964 (17) | 0.0372 (4) | |
F4 | 0.17789 (18) | −0.0746 (4) | 0.5963 (3) | 0.0740 (10) | |
F5 | 0.28492 (19) | 0.0669 (4) | 0.66813 (19) | 0.0804 (12) | |
F6 | 0.25884 (14) | 0.1419 (3) | 0.5217 (2) | 0.0637 (8) | |
O1 | 0.55475 (13) | 0.4011 (2) | 0.68241 (17) | 0.0257 (4) | |
O2 | 0.58850 (12) | 0.0566 (2) | 0.52072 (14) | 0.0225 (4) | |
O3 | 0.87731 (11) | −0.2924 (2) | 0.85449 (15) | 0.0261 (4) | |
O4 | 0.87676 (13) | −0.0567 (3) | 0.61012 (16) | 0.0305 (5) | |
C1 | 0.55518 (14) | −0.1451 (3) | 0.67868 (19) | 0.0148 (4) | |
C2 | 0.51420 (13) | −0.0208 (3) | 0.68895 (18) | 0.0143 (4) | |
C3 | 0.55910 (14) | 0.0369 (3) | 0.78776 (18) | 0.0138 (4) | |
C4 | 0.62846 (14) | −0.0495 (3) | 0.83609 (18) | 0.0123 (4) | |
C5 | 0.62620 (13) | −0.1633 (3) | 0.76912 (17) | 0.0129 (4) | |
C6 | 0.52661 (16) | −0.2463 (3) | 0.58993 (19) | 0.0225 (5) | |
H6A | 0.4970 | −0.3329 | 0.5904 | 0.034* | |
H6B | 0.5684 | −0.2892 | 0.5895 | 0.034* | |
H6C | 0.4962 | −0.1818 | 0.5331 | 0.034* | |
C7 | 0.43571 (14) | 0.0303 (3) | 0.6122 (2) | 0.0217 (5) | |
H7A | 0.4309 | 0.0376 | 0.5509 | 0.033* | |
H7B | 0.4255 | 0.1331 | 0.6289 | 0.033* | |
H7C | 0.4006 | −0.0473 | 0.6079 | 0.033* | |
C8 | 0.53513 (15) | 0.1585 (3) | 0.83271 (19) | 0.0189 (5) | |
H8A | 0.5095 | 0.1053 | 0.8584 | 0.028* | |
H8B | 0.5019 | 0.2348 | 0.7844 | 0.028* | |
H8C | 0.5786 | 0.2131 | 0.8841 | 0.028* | |
C9 | 0.69101 (14) | −0.0342 (3) | 0.94005 (17) | 0.0164 (4) | |
H9A | 0.6862 | 0.0654 | 0.9655 | 0.025* | |
H9B | 0.7383 | −0.0365 | 0.9452 | 0.025* | |
H9C | 0.6888 | −0.1219 | 0.9763 | 0.025* | |
C10 | 0.68270 (15) | −0.2928 (3) | 0.79247 (19) | 0.0191 (5) | |
H10A | 0.7303 | −0.2628 | 0.8489 | 0.029* | |
H10B | 0.6880 | −0.3071 | 0.7386 | 0.029* | |
H10C | 0.6660 | −0.3915 | 0.8049 | 0.029* | |
C11 | 0.71819 (13) | 0.2088 (3) | 0.79977 (18) | 0.0167 (4) | |
H11A | 0.7223 | 0.3054 | 0.7701 | 0.020* | |
H11B | 0.7362 | 0.2236 | 0.8676 | 0.020* | |
C12 | 0.74021 (14) | 0.0669 (3) | 0.77729 (18) | 0.0136 (4) | |
H12 | 0.7674 | −0.0063 | 0.8327 | 0.016* | |
C13 | 0.76344 (14) | 0.0527 (3) | 0.70787 (18) | 0.0136 (4) | |
H13A | 0.7457 | 0.1443 | 0.6645 | 0.016* | |
H13B | 0.7426 | −0.0441 | 0.6694 | 0.016* | |
C14 | 0.57912 (14) | 0.2765 (3) | 0.69404 (18) | 0.0171 (4) | |
C15 | 0.60193 (14) | 0.0664 (3) | 0.59762 (19) | 0.0156 (4) | |
C16 | 0.99265 (14) | 0.1180 (3) | 0.93161 (19) | 0.0215 (5) | |
H16 | 1.0277 | 0.0444 | 0.9755 | 0.026* | |
C17 | 0.99243 (14) | 0.1886 (3) | 0.8538 (2) | 0.0230 (5) | |
H17 | 1.0270 | 0.1694 | 0.8369 | 0.028* | |
C18 | 0.92902 (16) | 0.2959 (3) | 0.8050 (2) | 0.0229 (5) | |
H18 | 0.9151 | 0.3580 | 0.7507 | 0.027* | |
C19 | 0.89193 (14) | 0.2899 (3) | 0.8542 (2) | 0.0234 (5) | |
H19 | 0.8496 | 0.3491 | 0.8385 | 0.028* | |
C20 | 0.92962 (16) | 0.1791 (3) | 0.9315 (2) | 0.0235 (5) | |
H20 | 0.9159 | 0.1510 | 0.9745 | 0.028* | |
C21 | 0.87932 (13) | −0.1674 (3) | 0.82794 (18) | 0.0186 (5) | |
C22 | 0.87796 (15) | −0.0238 (3) | 0.6782 (2) | 0.0201 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe | 0.01066 (15) | 0.01249 (13) | 0.01148 (15) | 0.00025 (11) | 0.00639 (12) | 0.00106 (11) |
Ru | 0.01094 (7) | 0.01541 (8) | 0.01389 (8) | 0.00028 (7) | 0.00673 (6) | 0.00052 (7) |
P | 0.0168 (3) | 0.0161 (3) | 0.0170 (3) | 0.0006 (2) | 0.0078 (3) | 0.0006 (2) |
F1 | 0.0330 (13) | 0.0846 (17) | 0.0335 (12) | 0.0092 (12) | 0.0014 (10) | −0.0237 (13) |
F2 | 0.0489 (12) | 0.0348 (11) | 0.0387 (11) | 0.0199 (9) | 0.0250 (10) | 0.0036 (8) |
F3 | 0.0370 (10) | 0.0222 (9) | 0.0562 (13) | 0.0059 (7) | 0.0280 (10) | −0.0030 (8) |
F4 | 0.0693 (19) | 0.0560 (15) | 0.134 (3) | 0.0253 (14) | 0.080 (2) | 0.0546 (18) |
F5 | 0.0643 (19) | 0.093 (2) | 0.0285 (12) | 0.0351 (16) | −0.0101 (13) | −0.0213 (13) |
F6 | 0.0468 (14) | 0.0465 (13) | 0.113 (2) | 0.0123 (11) | 0.0533 (15) | 0.0399 (15) |
O1 | 0.0262 (9) | 0.0149 (8) | 0.0367 (11) | 0.0032 (8) | 0.0175 (9) | 0.0038 (8) |
O2 | 0.0214 (9) | 0.0321 (11) | 0.0149 (9) | 0.0028 (8) | 0.0105 (8) | 0.0027 (7) |
O3 | 0.0251 (9) | 0.0186 (9) | 0.0262 (10) | −0.0011 (7) | 0.0085 (8) | 0.0025 (7) |
O4 | 0.0269 (11) | 0.0445 (13) | 0.0230 (11) | 0.0049 (9) | 0.0154 (9) | −0.0040 (9) |
C1 | 0.0147 (9) | 0.0129 (9) | 0.0163 (10) | −0.0023 (8) | 0.0082 (8) | 0.0013 (8) |
C2 | 0.0115 (10) | 0.0140 (10) | 0.0155 (10) | −0.0015 (8) | 0.0061 (9) | 0.0042 (8) |
C3 | 0.0137 (10) | 0.0145 (10) | 0.0155 (10) | 0.0007 (8) | 0.0095 (9) | 0.0023 (8) |
C4 | 0.0130 (10) | 0.0123 (9) | 0.0140 (10) | −0.0006 (7) | 0.0089 (9) | 0.0018 (7) |
C5 | 0.0147 (9) | 0.0110 (9) | 0.0143 (10) | 0.0001 (8) | 0.0087 (8) | 0.0009 (7) |
C6 | 0.0246 (12) | 0.0179 (11) | 0.0174 (11) | −0.0038 (10) | 0.0065 (10) | −0.0028 (9) |
C7 | 0.0103 (10) | 0.0256 (13) | 0.0222 (12) | 0.0012 (8) | 0.0043 (10) | 0.0059 (9) |
C8 | 0.0212 (11) | 0.0183 (11) | 0.0223 (12) | 0.0054 (9) | 0.0151 (10) | 0.0030 (9) |
C9 | 0.0144 (10) | 0.0220 (12) | 0.0097 (10) | 0.0025 (8) | 0.0045 (9) | 0.0012 (8) |
C10 | 0.0216 (11) | 0.0134 (10) | 0.0220 (12) | 0.0047 (9) | 0.0116 (10) | 0.0008 (9) |
C11 | 0.0134 (10) | 0.0195 (11) | 0.0170 (10) | −0.0031 (8) | 0.0082 (9) | −0.0049 (8) |
C12 | 0.0101 (10) | 0.0154 (10) | 0.0131 (10) | −0.0007 (7) | 0.0050 (8) | 0.0008 (7) |
C13 | 0.0097 (10) | 0.0172 (10) | 0.0131 (11) | 0.0007 (7) | 0.0056 (9) | 0.0001 (8) |
C14 | 0.0139 (10) | 0.0179 (11) | 0.0183 (11) | −0.0019 (8) | 0.0080 (9) | 0.0009 (8) |
C15 | 0.0111 (10) | 0.0174 (10) | 0.0170 (11) | −0.0006 (8) | 0.0069 (9) | 0.0002 (8) |
C16 | 0.0161 (11) | 0.0205 (12) | 0.0183 (11) | −0.0034 (9) | 0.0032 (9) | 0.0005 (9) |
C17 | 0.0142 (10) | 0.0273 (13) | 0.0266 (13) | −0.0065 (9) | 0.0105 (10) | −0.0020 (10) |
C18 | 0.0205 (12) | 0.0193 (12) | 0.0242 (13) | −0.0052 (9) | 0.0092 (11) | 0.0052 (10) |
C19 | 0.0173 (11) | 0.0166 (11) | 0.0316 (14) | −0.0028 (9) | 0.0105 (11) | −0.0047 (10) |
C20 | 0.0278 (13) | 0.0223 (12) | 0.0218 (12) | −0.0086 (10) | 0.0145 (11) | −0.0067 (9) |
C21 | 0.0132 (10) | 0.0190 (11) | 0.0180 (11) | −0.0001 (8) | 0.0049 (9) | −0.0013 (9) |
C22 | 0.0112 (10) | 0.0264 (13) | 0.0192 (12) | 0.0024 (9) | 0.0061 (10) | 0.0006 (10) |
Fe—C14 | 1.782 (3) | C9—H9C | 0.9600 |
Fe—C15 | 1.789 (3) | C7—H7A | 0.9600 |
Fe—C2 | 2.084 (2) | C7—H7B | 0.9600 |
Fe—C3 | 2.116 (2) | C7—H7C | 0.9600 |
Fe—C1 | 2.118 (2) | C10—H10A | 0.9600 |
Fe—C4 | 2.134 (2) | C10—H10B | 0.9600 |
Fe—C5 | 2.147 (2) | C10—H10C | 0.9600 |
Fe—C11 | 2.173 (2) | C8—H8A | 0.9600 |
Fe—C12 | 2.291 (3) | C8—H8B | 0.9600 |
Ru—C22 | 1.878 (3) | C8—H8C | 0.9600 |
Ru—C21 | 1.881 (3) | C11—H11A | 0.9700 |
Ru—C13 | 2.182 (3) | C11—H11B | 0.9700 |
Ru—C20 | 2.249 (3) | C6—H6A | 0.9600 |
Ru—C18 | 2.257 (3) | C6—H6B | 0.9600 |
Ru—C17 | 2.259 (3) | C6—H6C | 0.9600 |
Ru—C16 | 2.258 (3) | O2—C15 | 1.138 (3) |
Ru—C19 | 2.264 (3) | O3—C21 | 1.139 (3) |
C4—C3 | 1.429 (3) | O4—C22 | 1.140 (4) |
C4—C5 | 1.435 (3) | C17—C16 | 1.407 (4) |
C4—C9 | 1.492 (3) | C17—C18 | 1.441 (4) |
O1—C14 | 1.129 (3) | C17—H17 | 0.9300 |
C1—C2 | 1.421 (3) | C16—C20 | 1.431 (4) |
C1—C5 | 1.436 (3) | C16—H16 | 0.9300 |
C1—C6 | 1.498 (4) | C19—C18 | 1.406 (4) |
C5—C10 | 1.499 (3) | C19—C20 | 1.414 (4) |
C3—C2 | 1.446 (3) | C19—H19 | 0.9300 |
C3—C8 | 1.498 (3) | C20—H20 | 0.9300 |
C2—C7 | 1.502 (3) | P—F5 | 1.573 (3) |
C12—C11 | 1.394 (3) | P—F6 | 1.582 (2) |
C12—C13 | 1.476 (4) | P—F4 | 1.584 (2) |
C12—H12 | 0.9800 | P—F3 | 1.5956 (19) |
C13—H13A | 0.9700 | P—F1 | 1.596 (2) |
C13—H13B | 0.9700 | P—F2 | 1.605 (2) |
C9—H9A | 0.9600 | C18—H18 | 0.9300 |
C9—H9B | 0.9600 | ||
C14—Fe—C15 | 92.51 (11) | C11—C12—Fe | 67.23 (14) |
C14—Fe—C2 | 93.06 (10) | C13—C12—Fe | 117.01 (15) |
C15—Fe—C2 | 103.78 (11) | C11—C12—H12 | 113.2 |
C14—Fe—C3 | 87.00 (10) | C13—C12—H12 | 113.2 |
C15—Fe—C3 | 143.82 (11) | Fe—C12—H12 | 113.2 |
C2—Fe—C3 | 40.27 (9) | C12—C13—Ru | 107.23 (15) |
C14—Fe—C1 | 129.99 (10) | C12—C13—H13A | 110.3 |
C15—Fe—C1 | 87.20 (11) | Ru—C13—H13A | 110.3 |
C2—Fe—C1 | 39.51 (9) | C12—C13—H13B | 110.3 |
C3—Fe—C1 | 66.33 (9) | Ru—C13—H13B | 110.3 |
C14—Fe—C4 | 117.67 (10) | H13A—C13—H13B | 108.5 |
C15—Fe—C4 | 148.10 (11) | C4—C9—H9A | 109.5 |
C2—Fe—C4 | 66.79 (9) | C4—C9—H9B | 109.5 |
C3—Fe—C4 | 39.29 (9) | H9A—C9—H9B | 109.5 |
C1—Fe—C4 | 66.00 (10) | C4—C9—H9C | 109.5 |
C14—Fe—C5 | 152.96 (10) | H9A—C9—H9C | 109.5 |
C15—Fe—C5 | 108.95 (10) | H9B—C9—H9C | 109.5 |
C2—Fe—C5 | 66.48 (9) | C2—C7—H7A | 109.5 |
C3—Fe—C5 | 65.96 (9) | C2—C7—H7B | 109.5 |
C1—Fe—C5 | 39.34 (9) | H7A—C7—H7B | 109.5 |
C4—Fe—C5 | 39.16 (9) | C2—C7—H7C | 109.5 |
C14—Fe—C11 | 79.30 (11) | H7A—C7—H7C | 109.5 |
C15—Fe—C11 | 102.46 (10) | H7B—C7—H7C | 109.5 |
C2—Fe—C11 | 152.94 (10) | C5—C10—H10A | 109.5 |
C3—Fe—C11 | 112.92 (9) | C5—C10—H10B | 109.5 |
C1—Fe—C11 | 149.21 (10) | H10A—C10—H10B | 109.5 |
C4—Fe—C11 | 93.65 (10) | C5—C10—H10C | 109.5 |
C5—Fe—C11 | 110.55 (9) | H10A—C10—H10C | 109.5 |
C14—Fe—C12 | 112.23 (10) | H10B—C10—H10C | 109.5 |
C15—Fe—C12 | 86.04 (10) | C3—C8—H8A | 109.5 |
C2—Fe—C12 | 152.63 (9) | C3—C8—H8B | 109.5 |
C3—Fe—C12 | 127.41 (10) | H8A—C8—H8B | 109.5 |
C1—Fe—C12 | 117.61 (9) | C3—C8—H8C | 109.5 |
C4—Fe—C12 | 91.28 (9) | H8A—C8—H8C | 109.5 |
C5—Fe—C12 | 86.20 (9) | H8B—C8—H8C | 109.5 |
C11—Fe—C12 | 36.26 (8) | C12—C11—Fe | 76.51 (14) |
C22—Ru—C21 | 92.96 (12) | C12—C11—H11A | 115.8 |
C22—Ru—C13 | 87.02 (10) | Fe—C11—H11A | 115.8 |
C21—Ru—C13 | 87.99 (10) | C12—C11—H11B | 115.8 |
C22—Ru—C20 | 158.48 (11) | Fe—C11—H11B | 115.8 |
C21—Ru—C20 | 102.23 (11) | H11A—C11—H11B | 112.8 |
C13—Ru—C20 | 108.43 (10) | C1—C6—H6A | 109.5 |
C22—Ru—C18 | 100.40 (12) | C1—C6—H6B | 109.5 |
C21—Ru—C18 | 159.56 (10) | H6A—C6—H6B | 109.5 |
C13—Ru—C18 | 107.94 (10) | C1—C6—H6C | 109.5 |
C20—Ru—C18 | 61.14 (11) | H6A—C6—H6C | 109.5 |
C22—Ru—C17 | 97.39 (11) | H6B—C6—H6C | 109.5 |
C21—Ru—C17 | 126.01 (10) | O2—C15—Fe | 174.4 (2) |
C13—Ru—C17 | 145.15 (10) | C16—C17—C18 | 107.7 (2) |
C20—Ru—C17 | 61.34 (10) | C16—C17—Ru | 71.83 (15) |
C18—Ru—C17 | 37.23 (10) | C18—C17—Ru | 71.34 (14) |
C22—Ru—C16 | 126.15 (11) | C16—C17—H17 | 126.2 |
C21—Ru—C16 | 98.37 (10) | C18—C17—H17 | 126.2 |
C13—Ru—C16 | 145.46 (10) | Ru—C17—H17 | 122.4 |
C20—Ru—C16 | 37.03 (10) | C17—C16—C20 | 108.2 (2) |
C18—Ru—C16 | 61.24 (10) | C17—C16—Ru | 71.86 (15) |
C17—Ru—C16 | 36.31 (10) | C20—C16—Ru | 71.14 (15) |
C22—Ru—C19 | 132.27 (12) | C17—C16—H16 | 125.9 |
C21—Ru—C19 | 134.61 (11) | C20—C16—H16 | 125.9 |
C13—Ru—C19 | 90.50 (9) | Ru—C16—H16 | 122.7 |
C20—Ru—C19 | 36.50 (11) | O3—C21—Ru | 176.3 (2) |
C18—Ru—C19 | 36.24 (11) | C18—C19—C20 | 108.7 (2) |
C17—Ru—C19 | 61.12 (10) | C18—C19—Ru | 71.62 (16) |
C16—Ru—C19 | 61.04 (10) | C20—C19—Ru | 71.18 (15) |
C3—C4—C5 | 108.3 (2) | C18—C19—H19 | 125.6 |
C3—C4—C9 | 126.7 (2) | C20—C19—H19 | 125.6 |
C5—C4—C9 | 124.9 (2) | Ru—C19—H19 | 123.2 |
C3—C4—Fe | 69.69 (13) | O4—C22—Ru | 175.2 (3) |
C5—C4—Fe | 70.90 (14) | C19—C20—C16 | 107.7 (2) |
C9—C4—Fe | 128.31 (17) | C19—C20—Ru | 72.32 (16) |
O1—C14—Fe | 176.7 (2) | C16—C20—Ru | 71.82 (15) |
C2—C1—C5 | 108.6 (2) | C19—C20—H20 | 126.2 |
C2—C1—C6 | 125.3 (2) | C16—C20—H20 | 126.2 |
C5—C1—C6 | 126.0 (2) | Ru—C20—H20 | 121.4 |
C2—C1—Fe | 68.96 (13) | F5—P—F6 | 90.8 (2) |
C5—C1—Fe | 71.42 (13) | F5—P—F4 | 90.4 (2) |
C6—C1—Fe | 128.33 (18) | F6—P—F4 | 178.70 (18) |
C4—C5—C1 | 107.6 (2) | F5—P—F3 | 88.81 (14) |
C4—C5—C10 | 126.3 (2) | F6—P—F3 | 89.45 (12) |
C1—C5—C10 | 125.6 (2) | F4—P—F3 | 91.12 (14) |
C4—C5—Fe | 69.93 (13) | F5—P—F1 | 179.4 (2) |
C1—C5—Fe | 69.24 (13) | F6—P—F1 | 88.83 (19) |
C10—C5—Fe | 132.27 (17) | F4—P—F1 | 90.0 (2) |
C4—C3—C2 | 107.7 (2) | F3—P—F1 | 91.62 (14) |
C4—C3—C8 | 126.2 (2) | F5—P—F2 | 90.59 (14) |
C2—C3—C8 | 125.9 (2) | F6—P—F2 | 90.92 (13) |
C4—C3—Fe | 71.03 (14) | F4—P—F2 | 88.52 (15) |
C2—C3—Fe | 68.67 (13) | F3—P—F2 | 179.30 (12) |
C8—C3—Fe | 128.44 (16) | F1—P—F2 | 88.99 (13) |
C1—C2—C3 | 107.8 (2) | C19—C18—C17 | 107.7 (2) |
C1—C2—C7 | 125.3 (2) | C19—C18—Ru | 72.14 (15) |
C3—C2—C7 | 126.8 (2) | C17—C18—Ru | 71.43 (15) |
C1—C2—Fe | 71.53 (14) | C19—C18—H18 | 126.1 |
C3—C2—Fe | 71.06 (13) | C17—C18—H18 | 126.1 |
C7—C2—Fe | 126.65 (17) | Ru—C18—H18 | 122.0 |
C11—C12—C13 | 125.2 (2) | ||
C14—Fe—C4—C3 | 42.74 (17) | C15—Fe—C2—C1 | 67.88 (16) |
C15—Fe—C4—C3 | −116.6 (2) | C3—Fe—C2—C1 | −117.08 (19) |
C2—Fe—C4—C3 | −38.10 (14) | C4—Fe—C2—C1 | −79.89 (15) |
C1—Fe—C4—C3 | −81.38 (15) | C5—Fe—C2—C1 | −37.07 (14) |
C5—Fe—C4—C3 | −118.8 (2) | C11—Fe—C2—C1 | −126.5 (2) |
C11—Fe—C4—C3 | 122.57 (14) | C12—Fe—C2—C1 | −40.7 (3) |
C12—Fe—C4—C3 | 158.79 (14) | C14—Fe—C2—C3 | −81.70 (15) |
C14—Fe—C4—C5 | 161.57 (14) | C15—Fe—C2—C3 | −175.04 (14) |
C15—Fe—C4—C5 | 2.2 (3) | C1—Fe—C2—C3 | 117.08 (19) |
C2—Fe—C4—C5 | 80.73 (15) | C4—Fe—C2—C3 | 37.19 (13) |
C3—Fe—C4—C5 | 118.8 (2) | C5—Fe—C2—C3 | 80.01 (14) |
C1—Fe—C4—C5 | 37.45 (14) | C11—Fe—C2—C3 | −9.4 (3) |
C11—Fe—C4—C5 | −118.60 (14) | C12—Fe—C2—C3 | 76.4 (2) |
C12—Fe—C4—C5 | −82.38 (14) | C14—Fe—C2—C7 | 40.5 (2) |
C14—Fe—C4—C9 | −78.5 (2) | C15—Fe—C2—C7 | −52.8 (2) |
C15—Fe—C4—C9 | 122.1 (2) | C3—Fe—C2—C7 | 122.2 (3) |
C2—Fe—C4—C9 | −159.4 (2) | C1—Fe—C2—C7 | −120.7 (3) |
C3—Fe—C4—C9 | −121.3 (3) | C4—Fe—C2—C7 | 159.4 (3) |
C1—Fe—C4—C9 | 157.4 (2) | C5—Fe—C2—C7 | −157.8 (3) |
C5—Fe—C4—C9 | 119.9 (3) | C11—Fe—C2—C7 | 112.8 (3) |
C11—Fe—C4—C9 | 1.3 (2) | C12—Fe—C2—C7 | −161.4 (2) |
C12—Fe—C4—C9 | 37.5 (2) | C14—Fe—C12—C11 | 26.31 (18) |
C14—Fe—C1—C2 | −24.8 (2) | C15—Fe—C12—C11 | 117.40 (17) |
C15—Fe—C1—C2 | −115.73 (16) | C2—Fe—C12—C11 | −129.9 (2) |
C3—Fe—C1—C2 | 38.93 (14) | C3—Fe—C12—C11 | −77.66 (17) |
C4—Fe—C1—C2 | 82.05 (15) | C1—Fe—C12—C11 | −157.85 (15) |
C5—Fe—C1—C2 | 119.3 (2) | C4—Fe—C12—C11 | −94.42 (16) |
C11—Fe—C1—C2 | 134.38 (19) | C5—Fe—C12—C11 | −133.28 (16) |
C12—Fe—C1—C2 | 160.21 (14) | C14—Fe—C12—C13 | −92.87 (18) |
C14—Fe—C1—C5 | −144.14 (15) | C15—Fe—C12—C13 | −1.78 (17) |
C15—Fe—C1—C5 | 124.93 (15) | C2—Fe—C12—C13 | 110.9 (2) |
C2—Fe—C1—C5 | −119.3 (2) | C3—Fe—C12—C13 | 163.16 (15) |
C3—Fe—C1—C5 | −80.40 (15) | C1—Fe—C12—C13 | 82.97 (18) |
C4—Fe—C1—C5 | −37.28 (14) | C4—Fe—C12—C13 | 146.40 (17) |
C11—Fe—C1—C5 | 15.0 (3) | C5—Fe—C12—C13 | 107.54 (17) |
C12—Fe—C1—C5 | 40.88 (17) | C11—Fe—C12—C13 | −119.2 (2) |
C14—Fe—C1—C6 | 94.2 (3) | C11—C12—C13—Ru | 100.8 (2) |
C15—Fe—C1—C6 | 3.3 (2) | Fe—C12—C13—Ru | −179.09 (10) |
C2—Fe—C1—C6 | 119.0 (3) | C22—Ru—C13—C12 | 166.69 (16) |
C3—Fe—C1—C6 | 158.0 (3) | C21—Ru—C13—C12 | 73.62 (16) |
C4—Fe—C1—C6 | −158.9 (3) | C20—Ru—C13—C12 | −28.61 (17) |
C5—Fe—C1—C6 | −121.6 (3) | C18—Ru—C13—C12 | −93.33 (16) |
C11—Fe—C1—C6 | −106.6 (3) | C17—Ru—C13—C12 | −94.6 (2) |
C12—Fe—C1—C6 | −80.8 (2) | C16—Ru—C13—C12 | −28.3 (2) |
C3—C4—C5—C1 | 0.7 (3) | C19—Ru—C13—C12 | −61.00 (16) |
C9—C4—C5—C1 | 176.8 (2) | C13—C12—C11—Fe | 107.9 (2) |
Fe—C4—C5—C1 | −59.25 (16) | C14—Fe—C11—C12 | −155.32 (17) |
C3—C4—C5—C10 | −171.8 (2) | C15—Fe—C11—C12 | −65.10 (17) |
C9—C4—C5—C10 | 4.4 (4) | C2—Fe—C11—C12 | 129.2 (2) |
Fe—C4—C5—C10 | 128.3 (2) | C3—Fe—C11—C12 | 122.59 (15) |
C3—C4—C5—Fe | 59.91 (16) | C1—Fe—C11—C12 | 40.8 (3) |
C9—C4—C5—Fe | −123.9 (2) | C4—Fe—C11—C12 | 87.19 (16) |
C2—C1—C5—C4 | 0.5 (3) | C5—Fe—C11—C12 | 50.88 (17) |
C6—C1—C5—C4 | −175.9 (2) | C22—Ru—C17—C16 | −145.89 (18) |
Fe—C1—C5—C4 | 59.68 (16) | C21—Ru—C17—C16 | −46.8 (2) |
C2—C1—C5—C10 | 173.0 (2) | C13—Ru—C17—C16 | 118.7 (2) |
C6—C1—C5—C10 | −3.5 (4) | C20—Ru—C17—C16 | 37.58 (17) |
Fe—C1—C5—C10 | −127.8 (2) | C18—Ru—C17—C16 | 116.6 (2) |
C2—C1—C5—Fe | −59.15 (16) | C19—Ru—C17—C16 | 79.44 (18) |
C6—C1—C5—Fe | 124.4 (3) | C22—Ru—C17—C18 | 97.48 (18) |
C14—Fe—C5—C4 | −38.0 (3) | C21—Ru—C17—C18 | −163.39 (17) |
C15—Fe—C5—C4 | −178.78 (15) | C13—Ru—C17—C18 | 2.1 (3) |
C2—Fe—C5—C4 | −81.59 (15) | C20—Ru—C17—C18 | −79.05 (18) |
C3—Fe—C5—C4 | −37.40 (14) | C16—Ru—C17—C18 | −116.6 (2) |
C1—Fe—C5—C4 | −118.8 (2) | C19—Ru—C17—C18 | −37.18 (17) |
C11—Fe—C5—C4 | 69.35 (15) | C18—C17—C16—C20 | 0.5 (3) |
C12—Fe—C5—C4 | 96.73 (15) | Ru—C17—C16—C20 | −62.25 (18) |
C14—Fe—C5—C1 | 80.8 (3) | C18—C17—C16—Ru | 62.74 (19) |
C15—Fe—C5—C1 | −59.98 (16) | C22—Ru—C16—C17 | 43.5 (2) |
C2—Fe—C5—C1 | 37.22 (14) | C21—Ru—C16—C17 | 143.44 (18) |
C3—Fe—C5—C1 | 81.41 (15) | C13—Ru—C16—C17 | −117.9 (2) |
C4—Fe—C5—C1 | 118.8 (2) | C20—Ru—C16—C17 | −117.3 (2) |
C11—Fe—C5—C1 | −171.84 (14) | C18—Ru—C16—C17 | −38.09 (17) |
C12—Fe—C5—C1 | −144.46 (15) | C19—Ru—C16—C17 | −79.69 (18) |
C14—Fe—C5—C10 | −159.4 (2) | C22—Ru—C16—C20 | 160.85 (17) |
C15—Fe—C5—C10 | 59.9 (2) | C21—Ru—C16—C20 | −99.24 (17) |
C2—Fe—C5—C10 | 157.1 (3) | C13—Ru—C16—C20 | −0.5 (3) |
C3—Fe—C5—C10 | −158.7 (3) | C18—Ru—C16—C20 | 79.23 (18) |
C1—Fe—C5—C10 | 119.8 (3) | C17—Ru—C16—C20 | 117.3 (2) |
C4—Fe—C5—C10 | −121.3 (3) | C19—Ru—C16—C20 | 37.63 (16) |
C11—Fe—C5—C10 | −52.0 (2) | C22—Ru—C19—C18 | −34.2 (2) |
C12—Fe—C5—C10 | −24.6 (2) | C21—Ru—C19—C18 | 151.72 (16) |
C5—C4—C3—C2 | −1.6 (3) | C13—Ru—C19—C18 | −120.60 (16) |
C9—C4—C3—C2 | −177.6 (2) | C20—Ru—C19—C18 | 118.1 (2) |
Fe—C4—C3—C2 | 59.09 (16) | C17—Ru—C19—C18 | 38.21 (16) |
C5—C4—C3—C8 | 175.1 (2) | C16—Ru—C19—C18 | 79.91 (17) |
C9—C4—C3—C8 | −1.0 (4) | C22—Ru—C19—C20 | −152.27 (17) |
Fe—C4—C3—C8 | −124.3 (2) | C21—Ru—C19—C20 | 33.6 (2) |
C5—C4—C3—Fe | −60.68 (16) | C13—Ru—C19—C20 | 121.30 (17) |
C9—C4—C3—Fe | 123.3 (2) | C18—Ru—C19—C20 | −118.1 (2) |
C14—Fe—C3—C4 | −143.00 (15) | C17—Ru—C19—C20 | −79.89 (17) |
C15—Fe—C3—C4 | 126.86 (19) | C16—Ru—C19—C20 | −38.19 (16) |
C2—Fe—C3—C4 | 118.68 (19) | C18—C19—C20—C16 | 1.4 (3) |
C1—Fe—C3—C4 | 80.48 (14) | Ru—C19—C20—C16 | 63.57 (18) |
C5—Fe—C3—C4 | 37.28 (13) | C18—C19—C20—Ru | −62.13 (19) |
C11—Fe—C3—C4 | −65.94 (15) | C17—C16—C20—C19 | −1.2 (3) |
C12—Fe—C3—C4 | −27.09 (17) | Ru—C16—C20—C19 | −63.90 (18) |
C14—Fe—C3—C2 | 98.32 (15) | C17—C16—C20—Ru | 62.71 (19) |
C15—Fe—C3—C2 | 8.2 (2) | C22—Ru—C20—C19 | 69.8 (4) |
C1—Fe—C3—C2 | −38.21 (13) | C21—Ru—C20—C19 | −156.21 (17) |
C4—Fe—C3—C2 | −118.68 (19) | C13—Ru—C20—C19 | −64.24 (17) |
C5—Fe—C3—C2 | −81.40 (14) | C18—Ru—C20—C19 | 36.54 (16) |
C11—Fe—C3—C2 | 175.38 (13) | C17—Ru—C20—C19 | 79.25 (17) |
C12—Fe—C3—C2 | −145.77 (13) | C16—Ru—C20—C19 | 116.1 (2) |
C14—Fe—C3—C8 | −21.3 (2) | C22—Ru—C20—C16 | −46.2 (4) |
C15—Fe—C3—C8 | −111.5 (2) | C21—Ru—C20—C16 | 87.70 (17) |
C2—Fe—C3—C8 | −119.6 (3) | C13—Ru—C20—C16 | 179.68 (15) |
C1—Fe—C3—C8 | −157.8 (2) | C18—Ru—C20—C16 | −79.54 (17) |
C4—Fe—C3—C8 | 121.7 (3) | C17—Ru—C20—C16 | −36.84 (15) |
C5—Fe—C3—C8 | 159.0 (2) | C19—Ru—C20—C16 | −116.1 (2) |
C11—Fe—C3—C8 | 55.7 (2) | C20—C19—C18—C17 | −1.1 (3) |
C12—Fe—C3—C8 | 94.6 (2) | Ru—C19—C18—C17 | −62.99 (19) |
C5—C1—C2—C3 | −1.5 (3) | C20—C19—C18—Ru | 61.85 (19) |
C6—C1—C2—C3 | 175.0 (2) | C16—C17—C18—C19 | 0.4 (3) |
Fe—C1—C2—C3 | −62.19 (16) | Ru—C17—C18—C19 | 63.45 (19) |
C5—C1—C2—C7 | −177.0 (2) | C16—C17—C18—Ru | −63.06 (19) |
C6—C1—C2—C7 | −0.5 (4) | C22—Ru—C18—C19 | 155.00 (16) |
Fe—C1—C2—C7 | 122.3 (2) | C21—Ru—C18—C19 | −75.0 (4) |
C5—C1—C2—Fe | 60.68 (16) | C13—Ru—C18—C19 | 64.78 (17) |
C6—C1—C2—Fe | −122.8 (2) | C20—Ru—C18—C19 | −36.81 (16) |
C4—C3—C2—C1 | 1.9 (3) | C17—Ru—C18—C19 | −116.5 (2) |
C8—C3—C2—C1 | −174.7 (2) | C16—Ru—C18—C19 | −79.31 (17) |
Fe—C3—C2—C1 | 62.49 (16) | C22—Ru—C18—C17 | −88.55 (18) |
C4—C3—C2—C7 | 177.3 (2) | C21—Ru—C18—C17 | 41.5 (4) |
C8—C3—C2—C7 | 0.7 (4) | C13—Ru—C18—C17 | −178.77 (16) |
Fe—C3—C2—C7 | −122.1 (2) | C20—Ru—C18—C17 | 79.64 (18) |
C4—C3—C2—Fe | −60.58 (16) | C16—Ru—C18—C17 | 37.14 (16) |
C8—C3—C2—Fe | 122.8 (2) | C19—Ru—C18—C17 | 116.5 (2) |
C14—Fe—C2—C1 | 161.22 (16) |