Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680201783X/bt6198sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680201783X/bt6198Isup2.hkl |
CCDC reference: 200718
Data collection: COLLECT (Nonius, 1997-2000); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: DIRDIF97 (Beurskens et al., 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Fe(C5H5)(C12H13O)] | Z = 2 |
Mr = 294.16 | F(000) = 308 |
Triclinic, P1 | Dx = 1.465 Mg m−3 |
a = 7.938 (2) Å | Cu Kα radiation, λ = 1.54178 Å |
b = 9.5038 (14) Å | Cell parameters from 2303 reflections |
c = 9.906 (3) Å | θ = 1.8–30.0° |
α = 100.765 (13)° | µ = 8.95 mm−1 |
β = 102.87 (2)° | T = 120 K |
γ = 107.855 (10)° | Prismatic, orange |
V = 666.7 (3) Å3 | 0.18 × 0.13 × 0.10 mm |
Nonius KappaCCD diffractometer | 4363 independent reflections |
Radiation source: fine-focus sealed tube | 3578 reflections with I > 2σ(I) |
Horizonally mounted graphite crystal monochromator | Rint = 0.194 |
Detector resolution: 9 pixels mm-1 | θmax = 69.8°, θmin = 4.8° |
CCD scans | h = −9→9 |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | k = −11→11 |
Tmin = 0.223, Tmax = 0.504 | l = −12→11 |
20199 measured reflections |
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)] = 0.111 | H-atom parameters constrained |
wR(F2) = 0.301 | w = 1/[σ2(Fo2) + (0.2P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.17 | (Δ/σ)max < 0.001 |
4363 reflections | Δρmax = 0.76 e Å−3 |
345 parameters | Δρmin = −0.76 e Å−3 |
3 restraints | Absolute structure: Flack (1983), 1933 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.013 (6) |
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 | ||
C1A | 0.6408 (18) | −0.0361 (12) | 0.3905 (12) | 0.062 (3) | |
O1A | 0.6613 (13) | −0.1436 (8) | 0.4285 (9) | 0.077 (3) | |
C2A | 0.7638 (15) | 0.1297 (11) | 0.4572 (12) | 0.055 (3) | |
C3A | 0.6862 (16) | 0.2271 (11) | 0.3785 (13) | 0.060 (3) | |
H31A | 0.7631 | 0.2674 | 0.3182 | 0.072* | |
H32A | 0.6813 | 0.3149 | 0.4472 | 0.072* | |
C4A | 0.4880 (15) | 0.1186 (11) | 0.2833 (11) | 0.061 (2) | |
H4A | 0.4011 | 0.1246 | 0.3414 | 0.073* | |
C5A | 0.4941 (17) | −0.0428 (12) | 0.2587 (13) | 0.065 (3) | |
H51A | 0.3719 | −0.1191 | 0.2497 | 0.078* | |
H52A | 0.5282 | −0.0712 | 0.1701 | 0.078* | |
C6A | 0.9167 (17) | 0.1681 (13) | 0.5664 (13) | 0.062 (3) | |
H6A | 0.9416 | 0.0874 | 0.6007 | 0.074* | |
C7A | 1.0521 (18) | 0.3281 (12) | 0.6394 (13) | 0.068 (3) | |
H71A | 1.0045 | 0.4011 | 0.6014 | 0.103* | |
H72A | 1.1711 | 0.3381 | 0.6213 | 0.103* | |
H73A | 1.0696 | 0.3501 | 0.7433 | 0.103* | |
Fe1A | 0.26977 (15) | 0.29880 (12) | 0.12784 (12) | 0.0549 (5) | |
C8A | 0.4211 (16) | 0.1608 (11) | 0.1476 (13) | 0.061 (3) | |
C9A | 0.2377 (15) | 0.0763 (11) | 0.0448 (11) | 0.055 (2) | |
H9A | 0.1460 | −0.0120 | 0.0511 | 0.065* | |
C10A | 0.2214 (16) | 0.1514 (12) | −0.0683 (13) | 0.058 (3) | |
H10A | 0.1174 | 0.1196 | −0.1514 | 0.070* | |
C11A | 0.3861 (18) | 0.2804 (11) | −0.0348 (12) | 0.065 (3) | |
H11A | 0.4103 | 0.3520 | −0.0899 | 0.077* | |
C12A | 0.5086 (16) | 0.2847 (12) | 0.0947 (13) | 0.063 (3) | |
H12A | 0.6304 | 0.3587 | 0.1397 | 0.075* | |
C13A | 0.268 (2) | 0.3896 (15) | 0.3324 (14) | 0.075 (4) | |
H13A | 0.3369 | 0.3813 | 0.4203 | 0.090* | |
C14A | 0.0893 (19) | 0.2875 (14) | 0.2473 (15) | 0.069 (3) | |
H14A | 0.0183 | 0.1966 | 0.2656 | 0.082* | |
C15A | 0.035 (2) | 0.3446 (15) | 0.1301 (16) | 0.074 (4) | |
H15A | −0.0819 | 0.2999 | 0.0575 | 0.089* | |
C16A | 0.186 (2) | 0.4832 (13) | 0.1378 (15) | 0.073 (3) | |
H16A | 0.1872 | 0.5440 | 0.0717 | 0.087* | |
C17A | 0.3290 (18) | 0.5085 (13) | 0.2640 (14) | 0.066 (3) | |
H17A | 0.4460 | 0.5905 | 0.2980 | 0.079* | |
C1B | 0.3849 (17) | 1.0250 (12) | 0.6248 (12) | 0.054 (2) | |
O1B | 0.3735 (13) | 1.1359 (9) | 0.5844 (9) | 0.070 (2) | |
C2B | 0.2527 (16) | 0.8638 (12) | 0.5593 (12) | 0.055 (2) | |
C3B | 0.3158 (15) | 0.7641 (12) | 0.6424 (11) | 0.056 (2) | |
H31B | 0.3887 | 0.7141 | 0.5957 | 0.067* | |
H32B | 0.2093 | 0.6840 | 0.6532 | 0.067* | |
C4B | 0.4381 (14) | 0.8807 (10) | 0.7898 (11) | 0.058 (2) | |
H4B | 0.3508 | 0.9065 | 0.8400 | 0.069* | |
C5B | 0.5335 (15) | 1.0230 (10) | 0.7476 (11) | 0.056 (2) | |
H51B | 0.5758 | 1.1168 | 0.8286 | 0.067* | |
H52B | 0.6413 | 1.0151 | 0.7166 | 0.067* | |
C6B | 0.0991 (16) | 0.8248 (12) | 0.4448 (12) | 0.057 (3) | |
H6B | 0.0788 | 0.9058 | 0.4083 | 0.069* | |
C7B | −0.0394 (17) | 0.6672 (12) | 0.3721 (13) | 0.068 (3) | |
H71B | −0.0163 | 0.5972 | 0.4288 | 0.101* | |
H72B | −0.0287 | 0.6325 | 0.2758 | 0.101* | |
H73B | −0.1644 | 0.6680 | 0.3636 | 0.101* | |
Fe1B | 0.72883 (15) | 0.70209 (12) | 0.87101 (12) | 0.0553 (5) | |
C8B | 0.5558 (16) | 0.8263 (13) | 0.8891 (12) | 0.062 (3) | |
C9B | 0.7427 (15) | 0.9125 (11) | 0.9814 (11) | 0.053 (2) | |
H9B | 0.8222 | 1.0087 | 0.9781 | 0.063* | |
C10B | 0.7858 (17) | 0.8272 (13) | 1.0778 (14) | 0.066 (3) | |
H10B | 0.8999 | 0.8580 | 1.1515 | 0.079* | |
C11B | 0.6345 (17) | 0.6906 (12) | 1.0478 (11) | 0.061 (3) | |
H11B | 0.6281 | 0.6141 | 1.0980 | 0.073* | |
C12B | 0.4922 (14) | 0.6860 (10) | 0.9293 (11) | 0.054 (2) | |
H12B | 0.3755 | 0.6045 | 0.8845 | 0.064* | |
C13B | 0.7239 (18) | 0.6353 (13) | 0.6609 (13) | 0.063 (3) | |
H13B | 0.6523 | 0.6544 | 0.5808 | 0.076* | |
C14B | 0.9046 (17) | 0.7328 (13) | 0.7514 (15) | 0.068 (3) | |
H14B | 0.9747 | 0.8295 | 0.7421 | 0.082* | |
C15B | 0.9618 (18) | 0.6637 (14) | 0.8553 (16) | 0.074 (4) | |
H15B | 1.0778 | 0.7036 | 0.9284 | 0.089* | |
C16B | 0.8171 (19) | 0.5243 (13) | 0.8328 (14) | 0.068 (3) | |
H16B | 0.8167 | 0.4536 | 0.8892 | 0.081* | |
C17B | 0.6719 (18) | 0.5074 (14) | 0.7115 (15) | 0.072 (4) | |
H17B | 0.5577 | 0.4225 | 0.6714 | 0.087* |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1A | 0.072 (7) | 0.058 (5) | 0.051 (5) | 0.024 (5) | 0.010 (5) | 0.014 (4) |
O1A | 0.095 (6) | 0.051 (4) | 0.069 (5) | 0.019 (4) | 0.001 (4) | 0.018 (3) |
C2A | 0.051 (6) | 0.056 (5) | 0.060 (6) | 0.024 (4) | 0.014 (5) | 0.017 (4) |
C3A | 0.065 (7) | 0.051 (5) | 0.059 (6) | 0.020 (4) | 0.016 (5) | 0.009 (4) |
C4A | 0.060 (5) | 0.062 (5) | 0.059 (5) | 0.026 (4) | 0.011 (5) | 0.014 (4) |
C5A | 0.069 (7) | 0.056 (5) | 0.068 (7) | 0.024 (5) | 0.013 (5) | 0.022 (5) |
C6A | 0.061 (6) | 0.066 (6) | 0.058 (6) | 0.027 (5) | 0.015 (5) | 0.012 (5) |
C7A | 0.069 (7) | 0.057 (5) | 0.066 (7) | 0.017 (5) | 0.008 (6) | 0.013 (5) |
Fe1A | 0.0555 (9) | 0.0524 (8) | 0.0545 (9) | 0.0195 (7) | 0.0153 (8) | 0.0110 (7) |
C8A | 0.057 (6) | 0.052 (5) | 0.066 (6) | 0.019 (4) | 0.005 (5) | 0.014 (4) |
C9A | 0.049 (5) | 0.055 (4) | 0.055 (5) | 0.014 (4) | 0.018 (4) | 0.011 (4) |
C10A | 0.053 (5) | 0.054 (5) | 0.057 (6) | 0.015 (4) | 0.012 (5) | 0.006 (4) |
C11A | 0.083 (8) | 0.053 (5) | 0.056 (6) | 0.025 (5) | 0.019 (5) | 0.015 (4) |
C12A | 0.057 (6) | 0.057 (5) | 0.073 (7) | 0.022 (4) | 0.014 (5) | 0.019 (5) |
C13A | 0.075 (8) | 0.082 (7) | 0.060 (7) | 0.029 (6) | 0.016 (6) | 0.004 (5) |
C14A | 0.068 (7) | 0.069 (6) | 0.083 (8) | 0.024 (5) | 0.053 (6) | 0.018 (6) |
C15A | 0.071 (8) | 0.072 (7) | 0.077 (8) | 0.036 (6) | 0.013 (7) | 0.008 (6) |
C16A | 0.075 (8) | 0.060 (6) | 0.080 (8) | 0.028 (6) | 0.016 (6) | 0.017 (5) |
C17A | 0.067 (7) | 0.057 (5) | 0.076 (7) | 0.017 (5) | 0.041 (6) | 0.014 (5) |
C1B | 0.065 (6) | 0.057 (5) | 0.051 (5) | 0.030 (5) | 0.025 (5) | 0.018 (4) |
O1B | 0.081 (5) | 0.065 (4) | 0.063 (5) | 0.030 (4) | 0.014 (4) | 0.020 (3) |
C2B | 0.055 (6) | 0.062 (5) | 0.059 (6) | 0.025 (5) | 0.025 (5) | 0.021 (5) |
C3B | 0.052 (5) | 0.062 (5) | 0.053 (5) | 0.022 (4) | 0.017 (4) | 0.011 (4) |
C4B | 0.063 (5) | 0.055 (4) | 0.059 (5) | 0.022 (4) | 0.026 (5) | 0.015 (4) |
C5B | 0.059 (6) | 0.050 (4) | 0.051 (5) | 0.010 (4) | 0.015 (4) | 0.012 (4) |
C6B | 0.064 (6) | 0.062 (5) | 0.057 (6) | 0.029 (5) | 0.026 (5) | 0.020 (5) |
C7B | 0.065 (7) | 0.068 (6) | 0.069 (7) | 0.030 (5) | 0.013 (6) | 0.016 (5) |
Fe1B | 0.0554 (9) | 0.0500 (8) | 0.0566 (9) | 0.0179 (7) | 0.0126 (8) | 0.0125 (7) |
C8B | 0.053 (6) | 0.063 (5) | 0.058 (6) | 0.014 (4) | 0.008 (5) | 0.013 (4) |
C9B | 0.052 (5) | 0.054 (4) | 0.049 (5) | 0.017 (4) | 0.013 (4) | 0.014 (4) |
C10B | 0.060 (6) | 0.067 (6) | 0.066 (6) | 0.026 (5) | 0.015 (5) | 0.007 (5) |
C11B | 0.070 (7) | 0.063 (5) | 0.054 (5) | 0.028 (5) | 0.018 (5) | 0.019 (4) |
C12B | 0.050 (5) | 0.049 (4) | 0.056 (5) | 0.012 (4) | 0.017 (4) | 0.010 (4) |
C13B | 0.065 (7) | 0.076 (6) | 0.063 (6) | 0.032 (5) | 0.034 (5) | 0.024 (5) |
C14B | 0.059 (6) | 0.062 (6) | 0.083 (8) | 0.024 (5) | 0.019 (6) | 0.017 (5) |
C15B | 0.055 (7) | 0.063 (6) | 0.087 (9) | 0.019 (5) | 0.006 (6) | 0.004 (6) |
C16B | 0.072 (8) | 0.061 (6) | 0.076 (7) | 0.030 (5) | 0.025 (6) | 0.021 (5) |
C17B | 0.058 (7) | 0.068 (7) | 0.073 (7) | 0.020 (5) | 0.007 (6) | 0.001 (5) |
C1A—O1A | 1.196 (13) | C1B—O1B | 1.216 (13) |
C1A—C2A | 1.501 (14) | C1B—C2B | 1.486 (15) |
C1A—C5A | 1.520 (15) | C1B—C5B | 1.502 (15) |
C2A—C6A | 1.331 (15) | C2B—C6B | 1.363 (15) |
C2A—C3A | 1.500 (15) | C2B—C3B | 1.492 (14) |
C3A—C4A | 1.552 (13) | C3B—C4B | 1.552 (13) |
C3A—H31A | 0.9900 | C3B—H31B | 0.9900 |
C3A—H32A | 0.9900 | C3B—H32B | 0.9900 |
C4A—C8A | 1.504 (14) | C4B—C8B | 1.478 (15) |
C4A—C5A | 1.524 (13) | C4B—C5B | 1.517 (14) |
C4A—H4A | 1.0000 | C4B—H4B | 1.0000 |
C5A—H51A | 0.9900 | C5B—H51B | 0.9900 |
C5A—H52A | 0.9900 | C5B—H52B | 0.9900 |
C6A—C7A | 1.494 (14) | C6B—C7B | 1.485 (14) |
C6A—H6A | 0.9500 | C6B—H6B | 0.9500 |
C7A—H71A | 0.9800 | C7B—H71B | 0.9800 |
C7A—H72A | 0.9800 | C7B—H72B | 0.9800 |
C7A—H73A | 0.9800 | C7B—H73B | 0.9800 |
Fe1A—C11A | 2.033 (14) | Fe1B—C14B | 2.013 (16) |
Fe1A—C12A | 2.034 (13) | Fe1B—C16B | 2.024 (12) |
Fe1A—C9A | 2.035 (10) | Fe1B—C15B | 2.024 (15) |
Fe1A—C17A | 2.038 (12) | Fe1B—C10B | 2.040 (13) |
Fe1A—C8A | 2.040 (11) | Fe1B—C13B | 2.047 (13) |
Fe1A—C14A | 2.042 (13) | Fe1B—C17B | 2.049 (12) |
Fe1A—C15A | 2.045 (14) | Fe1B—C9B | 2.050 (10) |
Fe1A—C10A | 2.051 (12) | Fe1B—C12B | 2.056 (12) |
Fe1A—C16A | 2.052 (12) | Fe1B—C11B | 2.060 (13) |
Fe1A—C13A | 2.054 (14) | Fe1B—C8B | 2.083 (13) |
C8A—C12A | 1.427 (17) | C8B—C12B | 1.438 (15) |
C8A—C9A | 1.456 (14) | C8B—C9B | 1.442 (15) |
C9A—C10A | 1.440 (16) | C9B—C10B | 1.413 (17) |
C9A—H9A | 0.9500 | C9B—H9B | 0.9500 |
C10A—C11A | 1.412 (16) | C10B—C11B | 1.399 (17) |
C10A—H10A | 0.9500 | C10B—H10B | 0.9500 |
C11A—C12A | 1.412 (16) | C11B—C12B | 1.420 (15) |
C11A—H11A | 0.9500 | C11B—H11B | 0.9500 |
C12A—H12A | 0.9500 | C12B—H12B | 0.9500 |
C13A—C14A | 1.408 (18) | C13B—C17B | 1.382 (19) |
C13A—C17A | 1.438 (19) | C13B—C14B | 1.422 (17) |
C13A—H13A | 0.9500 | C13B—H13B | 0.9500 |
C14A—C15A | 1.41 (2) | C14B—C15B | 1.39 (2) |
C14A—H14A | 0.9500 | C14B—H14B | 0.9500 |
C15A—C16A | 1.46 (2) | C15B—C16B | 1.403 (18) |
C15A—H15A | 0.9500 | C15B—H15B | 0.9500 |
C16A—C17A | 1.415 (19) | C16B—C17B | 1.413 (18) |
C16A—H16A | 0.9500 | C16B—H16B | 0.9500 |
C17A—H17A | 0.9500 | C17B—H17B | 0.9500 |
O1A—C1A—C2A | 126.4 (10) | O1B—C1B—C2B | 125.8 (10) |
O1A—C1A—C5A | 126.4 (10) | O1B—C1B—C5B | 127.3 (10) |
C2A—C1A—C5A | 107.1 (9) | C2B—C1B—C5B | 106.9 (8) |
C6A—C2A—C3A | 130.7 (10) | C6B—C2B—C1B | 122.2 (10) |
C6A—C2A—C1A | 120.1 (9) | C6B—C2B—C3B | 129.1 (10) |
C3A—C2A—C1A | 109.2 (8) | C1B—C2B—C3B | 108.6 (9) |
C2A—C3A—C4A | 105.2 (8) | C2B—C3B—C4B | 102.4 (8) |
C2A—C3A—H31A | 110.7 | C2B—C3B—H31B | 111.3 |
C4A—C3A—H31A | 110.7 | C4B—C3B—H31B | 111.3 |
C2A—C3A—H32A | 110.7 | C2B—C3B—H32B | 111.3 |
C4A—C3A—H32A | 110.7 | C4B—C3B—H32B | 111.3 |
H31A—C3A—H32A | 108.8 | H31B—C3B—H32B | 109.2 |
C8A—C4A—C5A | 114.5 (9) | C8B—C4B—C5B | 117.6 (9) |
C8A—C4A—C3A | 113.8 (9) | C8B—C4B—C3B | 116.6 (8) |
C5A—C4A—C3A | 105.2 (8) | C5B—C4B—C3B | 102.9 (8) |
C8A—C4A—H4A | 107.7 | C8B—C4B—H4B | 106.3 |
C5A—C4A—H4A | 107.7 | C5B—C4B—H4B | 106.3 |
C3A—C4A—H4A | 107.7 | C3B—C4B—H4B | 106.3 |
C1A—C5A—C4A | 105.4 (9) | C1B—C5B—C4B | 103.4 (8) |
C1A—C5A—H51A | 110.7 | C1B—C5B—H51B | 111.1 |
C4A—C5A—H51A | 110.7 | C4B—C5B—H51B | 111.1 |
C1A—C5A—H52A | 110.7 | C1B—C5B—H52B | 111.1 |
C4A—C5A—H52A | 110.7 | C4B—C5B—H52B | 111.1 |
H51A—C5A—H52A | 108.8 | H51B—C5B—H52B | 109.0 |
C2A—C6A—C7A | 125.1 (11) | C2B—C6B—C7B | 125.9 (10) |
C2A—C6A—H6A | 117.4 | C2B—C6B—H6B | 117.1 |
C7A—C6A—H6A | 117.4 | C7B—C6B—H6B | 117.1 |
C6A—C7A—H71A | 109.5 | C6B—C7B—H71B | 109.5 |
C6A—C7A—H72A | 109.5 | C6B—C7B—H72B | 109.5 |
H71A—C7A—H72A | 109.5 | H71B—C7B—H72B | 109.5 |
C6A—C7A—H73A | 109.5 | C6B—C7B—H73B | 109.5 |
H71A—C7A—H73A | 109.5 | H71B—C7B—H73B | 109.5 |
H72A—C7A—H73A | 109.5 | H72B—C7B—H73B | 109.5 |
C11A—Fe1A—C12A | 40.6 (5) | C14B—Fe1B—C16B | 67.8 (5) |
C11A—Fe1A—C9A | 69.3 (4) | C14B—Fe1B—C15B | 40.2 (6) |
C12A—Fe1A—C9A | 69.2 (4) | C16B—Fe1B—C15B | 40.6 (5) |
C11A—Fe1A—C17A | 120.3 (5) | C14B—Fe1B—C10B | 125.1 (5) |
C12A—Fe1A—C17A | 108.8 (5) | C16B—Fe1B—C10B | 119.6 (5) |
C9A—Fe1A—C17A | 163.8 (5) | C15B—Fe1B—C10B | 106.8 (5) |
C11A—Fe1A—C8A | 69.4 (5) | C14B—Fe1B—C13B | 41.0 (5) |
C12A—Fe1A—C8A | 41.0 (5) | C16B—Fe1B—C13B | 67.8 (5) |
C9A—Fe1A—C8A | 41.9 (4) | C15B—Fe1B—C13B | 68.3 (6) |
C17A—Fe1A—C8A | 126.2 (5) | C10B—Fe1B—C13B | 163.3 (5) |
C11A—Fe1A—C14A | 164.8 (5) | C14B—Fe1B—C17B | 67.4 (6) |
C12A—Fe1A—C14A | 152.0 (5) | C16B—Fe1B—C17B | 40.6 (5) |
C9A—Fe1A—C14A | 104.8 (5) | C15B—Fe1B—C17B | 68.0 (5) |
C17A—Fe1A—C14A | 69.0 (5) | C10B—Fe1B—C17B | 155.2 (5) |
C8A—Fe1A—C14A | 116.3 (5) | C13B—Fe1B—C17B | 39.4 (5) |
C11A—Fe1A—C15A | 128.7 (5) | C14B—Fe1B—C9B | 109.1 (5) |
C12A—Fe1A—C15A | 166.9 (5) | C16B—Fe1B—C9B | 155.1 (4) |
C9A—Fe1A—C15A | 117.2 (5) | C15B—Fe1B—C9B | 120.9 (4) |
C17A—Fe1A—C15A | 68.3 (5) | C10B—Fe1B—C9B | 40.4 (5) |
C8A—Fe1A—C15A | 151.1 (5) | C13B—Fe1B—C9B | 127.2 (4) |
C14A—Fe1A—C15A | 40.3 (6) | C17B—Fe1B—C9B | 163.2 (4) |
C11A—Fe1A—C10A | 40.4 (4) | C14B—Fe1B—C12B | 158.8 (5) |
C12A—Fe1A—C10A | 68.1 (5) | C16B—Fe1B—C12B | 123.4 (5) |
C9A—Fe1A—C10A | 41.3 (5) | C15B—Fe1B—C12B | 159.6 (5) |
C17A—Fe1A—C10A | 154.2 (5) | C10B—Fe1B—C12B | 67.8 (5) |
C8A—Fe1A—C10A | 69.4 (5) | C13B—Fe1B—C12B | 122.4 (5) |
C14A—Fe1A—C10A | 126.2 (5) | C17B—Fe1B—C12B | 108.2 (5) |
C15A—Fe1A—C10A | 108.5 (5) | C9B—Fe1B—C12B | 68.6 (4) |
C11A—Fe1A—C16A | 108.8 (5) | C14B—Fe1B—C11B | 160.1 (4) |
C12A—Fe1A—C16A | 127.9 (5) | C16B—Fe1B—C11B | 106.1 (5) |
C9A—Fe1A—C16A | 153.1 (4) | C15B—Fe1B—C11B | 123.0 (6) |
C17A—Fe1A—C16A | 40.5 (5) | C10B—Fe1B—C11B | 39.9 (5) |
C8A—Fe1A—C16A | 164.6 (5) | C13B—Fe1B—C11B | 156.2 (5) |
C14A—Fe1A—C16A | 69.7 (6) | C17B—Fe1B—C11B | 121.1 (5) |
C15A—Fe1A—C16A | 41.7 (6) | C9B—Fe1B—C11B | 68.0 (4) |
C10A—Fe1A—C16A | 119.8 (5) | C12B—Fe1B—C11B | 40.4 (4) |
C11A—Fe1A—C13A | 154.5 (5) | C14B—Fe1B—C8B | 123.8 (5) |
C12A—Fe1A—C13A | 119.6 (5) | C16B—Fe1B—C8B | 161.4 (5) |
C9A—Fe1A—C13A | 124.8 (5) | C15B—Fe1B—C8B | 157.5 (5) |
C17A—Fe1A—C13A | 41.1 (5) | C10B—Fe1B—C8B | 67.8 (5) |
C8A—Fe1A—C13A | 105.9 (5) | C13B—Fe1B—C8B | 110.3 (5) |
C14A—Fe1A—C13A | 40.2 (5) | C17B—Fe1B—C8B | 126.1 (5) |
C15A—Fe1A—C13A | 67.4 (6) | C9B—Fe1B—C8B | 40.8 (4) |
C10A—Fe1A—C13A | 163.3 (5) | C12B—Fe1B—C8B | 40.7 (4) |
C16A—Fe1A—C13A | 68.7 (6) | C11B—Fe1B—C8B | 67.8 (5) |
C12A—C8A—C9A | 106.6 (9) | C12B—C8B—C9B | 107.0 (9) |
C12A—C8A—C4A | 130.5 (9) | C12B—C8B—C4B | 125.1 (9) |
C9A—C8A—C4A | 122.8 (10) | C9B—C8B—C4B | 127.1 (10) |
C12A—C8A—Fe1A | 69.3 (6) | C12B—C8B—Fe1B | 68.7 (7) |
C9A—C8A—Fe1A | 68.9 (6) | C9B—C8B—Fe1B | 68.4 (7) |
C4A—C8A—Fe1A | 124.8 (9) | C4B—C8B—Fe1B | 135.9 (9) |
C10A—C9A—C8A | 107.2 (9) | C10B—C9B—C8B | 107.3 (10) |
C10A—C9A—Fe1A | 70.0 (6) | C10B—C9B—Fe1B | 69.4 (7) |
C8A—C9A—Fe1A | 69.2 (6) | C8B—C9B—Fe1B | 70.8 (6) |
C10A—C9A—H9A | 126.4 | C10B—C9B—H9B | 126.3 |
C8A—C9A—H9A | 126.4 | C8B—C9B—H9B | 126.3 |
Fe1A—C9A—H9A | 126.0 | Fe1B—C9B—H9B | 125.0 |
C11A—C10A—C9A | 108.5 (10) | C11B—C10B—C9B | 109.5 (10) |
C11A—C10A—Fe1A | 69.1 (7) | C11B—C10B—Fe1B | 70.8 (7) |
C9A—C10A—Fe1A | 68.8 (7) | C9B—C10B—Fe1B | 70.1 (7) |
C11A—C10A—H10A | 125.7 | C11B—C10B—H10B | 125.3 |
C9A—C10A—H10A | 125.7 | C9B—C10B—H10B | 125.3 |
Fe1A—C10A—H10A | 127.9 | Fe1B—C10B—H10B | 125.4 |
C10A—C11A—C12A | 108.2 (10) | C10B—C11B—C12B | 108.2 (10) |
C10A—C11A—Fe1A | 70.4 (8) | C10B—C11B—Fe1B | 69.3 (8) |
C12A—C11A—Fe1A | 69.7 (8) | C12B—C11B—Fe1B | 69.6 (7) |
C10A—C11A—H11A | 125.9 | C10B—C11B—H11B | 125.9 |
C12A—C11A—H11A | 125.9 | C12B—C11B—H11B | 125.9 |
Fe1A—C11A—H11A | 125.6 | Fe1B—C11B—H11B | 126.8 |
C11A—C12A—C8A | 109.5 (10) | C11B—C12B—C8B | 107.9 (9) |
C11A—C12A—Fe1A | 69.7 (8) | C11B—C12B—Fe1B | 70.0 (7) |
C8A—C12A—Fe1A | 69.7 (7) | C8B—C12B—Fe1B | 70.7 (7) |
C11A—C12A—H12A | 125.3 | C11B—C12B—H12B | 126.0 |
C8A—C12A—H12A | 125.3 | C8B—C12B—H12B | 126.0 |
Fe1A—C12A—H12A | 126.9 | Fe1B—C12B—H12B | 124.9 |
C14A—C13A—C17A | 108.5 (12) | C17B—C13B—C14B | 107.1 (11) |
C14A—C13A—Fe1A | 69.5 (7) | C17B—C13B—Fe1B | 70.4 (8) |
C17A—C13A—Fe1A | 68.8 (8) | C14B—C13B—Fe1B | 68.2 (8) |
C14A—C13A—H13A | 125.7 | C17B—C13B—H13B | 126.5 |
C17A—C13A—H13A | 125.7 | C14B—C13B—H13B | 126.5 |
Fe1A—C13A—H13A | 127.6 | Fe1B—C13B—H13B | 126.5 |
C13A—C14A—C15A | 107.7 (12) | C15B—C14B—C13B | 108.9 (11) |
C13A—C14A—Fe1A | 70.3 (8) | C15B—C14B—Fe1B | 70.3 (10) |
C15A—C14A—Fe1A | 70.0 (8) | C13B—C14B—Fe1B | 70.8 (8) |
C13A—C14A—H14A | 126.2 | C15B—C14B—H14B | 125.6 |
C15A—C14A—H14A | 126.2 | C13B—C14B—H14B | 125.6 |
Fe1A—C14A—H14A | 125.1 | Fe1B—C14B—H14B | 124.9 |
C14A—C15A—C16A | 109.3 (11) | C14B—C15B—C16B | 107.5 (11) |
C14A—C15A—Fe1A | 69.7 (7) | C14B—C15B—Fe1B | 69.5 (8) |
C16A—C15A—Fe1A | 69.4 (8) | C16B—C15B—Fe1B | 69.7 (8) |
C14A—C15A—H15A | 125.4 | C14B—C15B—H15B | 126.2 |
C16A—C15A—H15A | 125.4 | C16B—C15B—H15B | 126.2 |
Fe1A—C15A—H15A | 127.1 | Fe1B—C15B—H15B | 126.2 |
C17A—C16A—C15A | 105.8 (12) | C15B—C16B—C17B | 107.9 (12) |
C17A—C16A—Fe1A | 69.2 (7) | C15B—C16B—Fe1B | 69.7 (8) |
C15A—C16A—Fe1A | 68.9 (7) | C17B—C16B—Fe1B | 70.7 (7) |
C17A—C16A—H16A | 127.1 | C15B—C16B—H16B | 126.0 |
C15A—C16A—H16A | 127.1 | C17B—C16B—H16B | 126.0 |
Fe1A—C16A—H16A | 126.4 | Fe1B—C16B—H16B | 125.1 |
C16A—C17A—C13A | 108.7 (12) | C13B—C17B—C16B | 108.6 (11) |
C16A—C17A—Fe1A | 70.3 (7) | C13B—C17B—Fe1B | 70.2 (7) |
C13A—C17A—Fe1A | 70.0 (7) | C16B—C17B—Fe1B | 68.7 (7) |
C16A—C17A—H17A | 125.6 | C13B—C17B—H17B | 125.7 |
C13A—C17A—H17A | 125.6 | C16B—C17B—H17B | 125.7 |
Fe1A—C17A—H17A | 125.6 | Fe1B—C17B—H17B | 126.9 |
O1A—C1A—C2A—C6A | 3 (2) | O1B—C1B—C2B—C6B | −1 (2) |
C5A—C1A—C2A—C6A | −173.1 (13) | C5B—C1B—C2B—C6B | 179.5 (12) |
O1A—C1A—C2A—C3A | −178.9 (14) | O1B—C1B—C2B—C3B | −179.2 (12) |
C5A—C1A—C2A—C3A | 5.4 (15) | C5B—C1B—C2B—C3B | 1.4 (14) |
C6A—C2A—C3A—C4A | −169.5 (14) | C6B—C2B—C3B—C4B | −155.7 (13) |
C1A—C2A—C3A—C4A | 12.3 (14) | C1B—C2B—C3B—C4B | 22.2 (13) |
C2A—C3A—C4A—C8A | −151.3 (10) | C2B—C3B—C4B—C8B | −167.4 (10) |
C2A—C3A—C4A—C5A | −25.2 (13) | C2B—C3B—C4B—C5B | −37.1 (11) |
O1A—C1A—C5A—C4A | 163.0 (14) | O1B—C1B—C5B—C4B | 155.6 (12) |
C2A—C1A—C5A—C4A | −21.2 (14) | C2B—C1B—C5B—C4B | −25.0 (12) |
C8A—C4A—C5A—C1A | 154.3 (11) | C8B—C4B—C5B—C1B | 168.0 (10) |
C3A—C4A—C5A—C1A | 28.6 (13) | C3B—C4B—C5B—C1B | 38.3 (11) |
C3A—C2A—C6A—C7A | 0 (2) | C1B—C2B—C6B—C7B | 179.5 (12) |
C1A—C2A—C6A—C7A | 178.5 (13) | C3B—C2B—C6B—C7B | −3 (2) |
C5A—C4A—C8A—C12A | −122.3 (14) | C5B—C4B—C8B—C12B | −173.6 (11) |
C3A—C4A—C8A—C12A | −1.2 (18) | C3B—C4B—C8B—C12B | −50.6 (17) |
C5A—C4A—C8A—C9A | 60.4 (16) | C5B—C4B—C8B—C9B | 17.9 (18) |
C3A—C4A—C8A—C9A | −178.6 (11) | C3B—C4B—C8B—C9B | 140.9 (13) |
C5A—C4A—C8A—Fe1A | 146.2 (9) | C5B—C4B—C8B—Fe1B | −78.7 (13) |
C3A—C4A—C8A—Fe1A | −92.8 (11) | C3B—C4B—C8B—Fe1B | 44.3 (16) |
C11A—Fe1A—C8A—C12A | 36.6 (7) | C14B—Fe1B—C8B—C12B | 160.4 (6) |
C9A—Fe1A—C8A—C12A | 118.2 (10) | C16B—Fe1B—C8B—C12B | 36.2 (19) |
C17A—Fe1A—C8A—C12A | −76.6 (8) | C15B—Fe1B—C8B—C12B | −161.5 (12) |
C14A—Fe1A—C8A—C12A | −158.8 (7) | C10B—Fe1B—C8B—C12B | −81.3 (7) |
C15A—Fe1A—C8A—C12A | 171.1 (10) | C13B—Fe1B—C8B—C12B | 116.5 (7) |
C10A—Fe1A—C8A—C12A | 79.9 (7) | C17B—Fe1B—C8B—C12B | 75.1 (9) |
C16A—Fe1A—C8A—C12A | −49 (2) | C9B—Fe1B—C8B—C12B | −119.5 (9) |
C13A—Fe1A—C8A—C12A | −117.0 (7) | C11B—Fe1B—C8B—C12B | −38.0 (6) |
C11A—Fe1A—C8A—C9A | −81.7 (7) | C14B—Fe1B—C8B—C9B | −80.1 (8) |
C12A—Fe1A—C8A—C9A | −118.2 (10) | C16B—Fe1B—C8B—C9B | 155.7 (15) |
C17A—Fe1A—C8A—C9A | 165.2 (7) | C15B—Fe1B—C8B—C9B | −42.0 (16) |
C14A—Fe1A—C8A—C9A | 82.9 (8) | C10B—Fe1B—C8B—C9B | 38.2 (7) |
C15A—Fe1A—C8A—C9A | 52.8 (13) | C13B—Fe1B—C8B—C9B | −124.0 (7) |
C10A—Fe1A—C8A—C9A | −38.3 (7) | C17B—Fe1B—C8B—C9B | −165.4 (8) |
C16A—Fe1A—C8A—C9A | −168 (2) | C12B—Fe1B—C8B—C9B | 119.5 (9) |
C13A—Fe1A—C8A—C9A | 124.8 (8) | C11B—Fe1B—C8B—C9B | 81.5 (7) |
C11A—Fe1A—C8A—C4A | 162.3 (10) | C14B—Fe1B—C8B—C4B | 41.4 (13) |
C12A—Fe1A—C8A—C4A | 125.7 (11) | C16B—Fe1B—C8B—C4B | −83 (2) |
C9A—Fe1A—C8A—C4A | −116.1 (12) | C15B—Fe1B—C8B—C4B | 79.6 (18) |
C17A—Fe1A—C8A—C4A | 49.1 (11) | C10B—Fe1B—C8B—C4B | 159.8 (13) |
C14A—Fe1A—C8A—C4A | −33.2 (10) | C13B—Fe1B—C8B—C4B | −2.4 (13) |
C15A—Fe1A—C8A—C4A | −63.2 (14) | C17B—Fe1B—C8B—C4B | −43.8 (14) |
C10A—Fe1A—C8A—C4A | −154.4 (10) | C9B—Fe1B—C8B—C4B | 121.5 (15) |
C16A—Fe1A—C8A—C4A | 76 (2) | C12B—Fe1B—C8B—C4B | −118.9 (13) |
C13A—Fe1A—C8A—C4A | 8.7 (10) | C11B—Fe1B—C8B—C4B | −156.9 (13) |
C12A—C8A—C9A—C10A | 0.7 (14) | C12B—C8B—C9B—C10B | −2.1 (14) |
C4A—C8A—C9A—C10A | 178.6 (11) | C4B—C8B—C9B—C10B | 168.0 (12) |
Fe1A—C8A—C9A—C10A | 60.0 (8) | Fe1B—C8B—C9B—C10B | −60.1 (9) |
C12A—C8A—C9A—Fe1A | −59.3 (8) | C12B—C8B—C9B—Fe1B | 58.0 (8) |
C4A—C8A—C9A—Fe1A | 118.6 (12) | C4B—C8B—C9B—Fe1B | −131.9 (13) |
C11A—Fe1A—C9A—C10A | −36.5 (7) | C14B—Fe1B—C9B—C10B | −122.2 (8) |
C12A—Fe1A—C9A—C10A | −80.1 (7) | C16B—Fe1B—C9B—C10B | −43.9 (15) |
C17A—Fe1A—C9A—C10A | −166.1 (17) | C15B—Fe1B—C9B—C10B | −79.4 (9) |
C8A—Fe1A—C9A—C10A | −118.3 (10) | C13B—Fe1B—C9B—C10B | −164.4 (8) |
C14A—Fe1A—C9A—C10A | 128.7 (7) | C17B—Fe1B—C9B—C10B | 162.6 (18) |
C15A—Fe1A—C9A—C10A | 87.3 (9) | C12B—Fe1B—C9B—C10B | 80.4 (8) |
C16A—Fe1A—C9A—C10A | 54.5 (15) | C11B—Fe1B—C9B—C10B | 36.8 (7) |
C13A—Fe1A—C9A—C10A | 167.6 (8) | C8B—Fe1B—C9B—C10B | 117.9 (11) |
C11A—Fe1A—C9A—C8A | 81.8 (8) | C14B—Fe1B—C9B—C8B | 120.0 (7) |
C12A—Fe1A—C9A—C8A | 38.2 (7) | C16B—Fe1B—C9B—C8B | −161.8 (12) |
C17A—Fe1A—C9A—C8A | −48 (2) | C15B—Fe1B—C9B—C8B | 162.7 (8) |
C14A—Fe1A—C9A—C8A | −113.0 (8) | C10B—Fe1B—C9B—C8B | −117.9 (10) |
C15A—Fe1A—C9A—C8A | −154.4 (8) | C13B—Fe1B—C9B—C8B | 77.7 (9) |
C10A—Fe1A—C9A—C8A | 118.3 (10) | C17B—Fe1B—C9B—C8B | 45 (2) |
C16A—Fe1A—C9A—C8A | 172.8 (12) | C12B—Fe1B—C9B—C8B | −37.5 (7) |
C13A—Fe1A—C9A—C8A | −74.1 (9) | C11B—Fe1B—C9B—C8B | −81.1 (8) |
C8A—C9A—C10A—C11A | −1.7 (14) | C8B—C9B—C10B—C11B | 0.9 (16) |
Fe1A—C9A—C10A—C11A | 57.8 (9) | Fe1B—C9B—C10B—C11B | −60.1 (9) |
C8A—C9A—C10A—Fe1A | −59.5 (8) | C8B—C9B—C10B—Fe1B | 61.0 (9) |
C12A—Fe1A—C10A—C11A | −37.9 (7) | C14B—Fe1B—C10B—C11B | −161.9 (6) |
C9A—Fe1A—C10A—C11A | −120.8 (10) | C16B—Fe1B—C10B—C11B | −79.5 (9) |
C17A—Fe1A—C10A—C11A | 50.4 (14) | C15B—Fe1B—C10B—C11B | −121.7 (8) |
C8A—Fe1A—C10A—C11A | −82.0 (7) | C13B—Fe1B—C10B—C11B | 168.1 (16) |
C14A—Fe1A—C10A—C11A | 169.9 (7) | C17B—Fe1B—C10B—C11B | −48.0 (16) |
C15A—Fe1A—C10A—C11A | 128.6 (8) | C9B—Fe1B—C10B—C11B | 120.1 (10) |
C16A—Fe1A—C10A—C11A | 84.3 (8) | C12B—Fe1B—C10B—C11B | 37.4 (6) |
C13A—Fe1A—C10A—C11A | −158.7 (17) | C8B—Fe1B—C10B—C11B | 81.5 (7) |
C11A—Fe1A—C10A—C9A | 120.8 (10) | C14B—Fe1B—C10B—C9B | 78.0 (9) |
C12A—Fe1A—C10A—C9A | 83.0 (7) | C16B—Fe1B—C10B—C9B | 160.4 (7) |
C17A—Fe1A—C10A—C9A | 171.2 (11) | C15B—Fe1B—C10B—C9B | 118.2 (8) |
C8A—Fe1A—C10A—C9A | 38.9 (7) | C13B—Fe1B—C10B—C9B | 48 (2) |
C14A—Fe1A—C10A—C9A | −69.3 (9) | C17B—Fe1B—C10B—C9B | −168.1 (11) |
C15A—Fe1A—C10A—C9A | −110.6 (8) | C12B—Fe1B—C10B—C9B | −82.7 (7) |
C16A—Fe1A—C10A—C9A | −154.9 (7) | C11B—Fe1B—C10B—C9B | −120.1 (10) |
C13A—Fe1A—C10A—C9A | −38 (2) | C8B—Fe1B—C10B—C9B | −38.6 (7) |
C9A—C10A—C11A—C12A | 2.1 (15) | C9B—C10B—C11B—C12B | 0.8 (16) |
Fe1A—C10A—C11A—C12A | 59.7 (9) | Fe1B—C10B—C11B—C12B | −58.9 (9) |
C9A—C10A—C11A—Fe1A | −57.6 (9) | C9B—C10B—C11B—Fe1B | 59.7 (10) |
C12A—Fe1A—C11A—C10A | 119.0 (9) | C14B—Fe1B—C11B—C10B | 48.2 (16) |
C9A—Fe1A—C11A—C10A | 37.2 (7) | C16B—Fe1B—C11B—C10B | 117.1 (7) |
C17A—Fe1A—C11A—C10A | −157.1 (7) | C15B—Fe1B—C11B—C10B | 76.2 (8) |
C8A—Fe1A—C11A—C10A | 82.1 (7) | C13B—Fe1B—C11B—C10B | −171.6 (11) |
C14A—Fe1A—C11A—C10A | −33 (2) | C17B—Fe1B—C11B—C10B | 158.6 (7) |
C15A—Fe1A—C11A—C10A | −71.7 (9) | C9B—Fe1B—C11B—C10B | −37.3 (7) |
C16A—Fe1A—C11A—C10A | −114.2 (7) | C12B—Fe1B—C11B—C10B | −119.8 (9) |
C13A—Fe1A—C11A—C10A | 166.0 (11) | C8B—Fe1B—C11B—C10B | −81.5 (7) |
C9A—Fe1A—C11A—C12A | −81.8 (7) | C14B—Fe1B—C11B—C12B | 167.9 (11) |
C17A—Fe1A—C11A—C12A | 83.8 (8) | C16B—Fe1B—C11B—C12B | −123.1 (6) |
C8A—Fe1A—C11A—C12A | −36.9 (6) | C15B—Fe1B—C11B—C12B | −164.0 (6) |
C14A—Fe1A—C11A—C12A | −151.7 (17) | C10B—Fe1B—C11B—C12B | 119.8 (9) |
C15A—Fe1A—C11A—C12A | 169.3 (7) | C13B—Fe1B—C11B—C12B | −51.8 (13) |
C10A—Fe1A—C11A—C12A | −119.0 (9) | C17B—Fe1B—C11B—C12B | −81.6 (7) |
C16A—Fe1A—C11A—C12A | 126.8 (7) | C9B—Fe1B—C11B—C12B | 82.5 (6) |
C13A—Fe1A—C11A—C12A | 47.0 (14) | C8B—Fe1B—C11B—C12B | 38.3 (5) |
C10A—C11A—C12A—C8A | −1.7 (16) | C10B—C11B—C12B—C8B | −2.1 (14) |
Fe1A—C11A—C12A—C8A | 58.5 (9) | Fe1B—C11B—C12B—C8B | −60.8 (9) |
C10A—C11A—C12A—Fe1A | −60.2 (10) | C10B—C11B—C12B—Fe1B | 58.7 (9) |
C9A—C8A—C12A—C11A | 0.6 (15) | C9B—C8B—C12B—C11B | 2.6 (14) |
C4A—C8A—C12A—C11A | −177.1 (12) | C4B—C8B—C12B—C11B | −167.8 (12) |
Fe1A—C8A—C12A—C11A | −58.4 (9) | Fe1B—C8B—C12B—C11B | 60.4 (8) |
C9A—C8A—C12A—Fe1A | 59.0 (8) | C9B—C8B—C12B—Fe1B | −57.8 (9) |
C4A—C8A—C12A—Fe1A | −118.6 (14) | C4B—C8B—C12B—Fe1B | 131.8 (12) |
C9A—Fe1A—C12A—C11A | 82.1 (7) | C14B—Fe1B—C12B—C11B | −168.7 (11) |
C17A—Fe1A—C12A—C11A | −114.9 (7) | C16B—Fe1B—C12B—C11B | 74.7 (8) |
C8A—Fe1A—C12A—C11A | 121.1 (9) | C15B—Fe1B—C12B—C11B | 41.4 (14) |
C14A—Fe1A—C12A—C11A | 164.6 (9) | C10B—Fe1B—C12B—C11B | −37.0 (6) |
C15A—Fe1A—C12A—C11A | −40 (2) | C13B—Fe1B—C12B—C11B | 158.0 (6) |
C10A—Fe1A—C12A—C11A | 37.7 (6) | C17B—Fe1B—C12B—C11B | 116.9 (7) |
C16A—Fe1A—C12A—C11A | −73.8 (8) | C9B—Fe1B—C12B—C11B | −80.7 (6) |
C13A—Fe1A—C12A—C11A | −158.8 (7) | C8B—Fe1B—C12B—C11B | −118.3 (8) |
C11A—Fe1A—C12A—C8A | −121.1 (9) | C14B—Fe1B—C12B—C8B | −50.3 (13) |
C9A—Fe1A—C12A—C8A | −39.0 (6) | C16B—Fe1B—C12B—C8B | −166.9 (7) |
C17A—Fe1A—C12A—C8A | 124.0 (7) | C15B—Fe1B—C12B—C8B | 159.7 (11) |
C14A—Fe1A—C12A—C8A | 43.6 (12) | C10B—Fe1B—C12B—C8B | 81.3 (7) |
C15A—Fe1A—C12A—C8A | −160.8 (19) | C13B—Fe1B—C12B—C8B | −83.7 (7) |
C10A—Fe1A—C12A—C8A | −83.4 (7) | C17B—Fe1B—C12B—C8B | −124.8 (7) |
C16A—Fe1A—C12A—C8A | 165.2 (7) | C9B—Fe1B—C12B—C8B | 37.7 (6) |
C13A—Fe1A—C12A—C8A | 80.1 (8) | C11B—Fe1B—C12B—C8B | 118.3 (8) |
C11A—Fe1A—C13A—C14A | 172.5 (10) | C14B—Fe1B—C13B—C17B | 118.6 (11) |
C12A—Fe1A—C13A—C14A | −154.3 (7) | C16B—Fe1B—C13B—C17B | 37.4 (8) |
C9A—Fe1A—C13A—C14A | −70.2 (9) | C15B—Fe1B—C13B—C17B | 81.3 (8) |
C17A—Fe1A—C13A—C14A | 120.6 (11) | C10B—Fe1B—C13B—C17B | 157.1 (16) |
C8A—Fe1A—C13A—C14A | −112.1 (8) | C9B—Fe1B—C13B—C17B | −165.7 (7) |
C15A—Fe1A—C13A—C14A | 38.1 (8) | C12B—Fe1B—C13B—C17B | −79.1 (8) |
C10A—Fe1A—C13A—C14A | −41 (2) | C11B—Fe1B—C13B—C17B | −42.0 (15) |
C16A—Fe1A—C13A—C14A | 83.3 (9) | C8B—Fe1B—C13B—C17B | −122.8 (8) |
C11A—Fe1A—C13A—C17A | 51.9 (15) | C16B—Fe1B—C13B—C14B | −81.2 (8) |
C12A—Fe1A—C13A—C17A | 85.1 (8) | C15B—Fe1B—C13B—C14B | −37.3 (7) |
C9A—Fe1A—C13A—C17A | 169.2 (7) | C10B—Fe1B—C13B—C14B | 38 (2) |
C8A—Fe1A—C13A—C17A | 127.3 (7) | C17B—Fe1B—C13B—C14B | −118.6 (11) |
C14A—Fe1A—C13A—C17A | −120.6 (11) | C9B—Fe1B—C13B—C14B | 75.7 (8) |
C15A—Fe1A—C13A—C17A | −82.5 (9) | C12B—Fe1B—C13B—C14B | 162.3 (6) |
C10A—Fe1A—C13A—C17A | −161.3 (17) | C11B—Fe1B—C13B—C14B | −160.6 (10) |
C16A—Fe1A—C13A—C17A | −37.3 (8) | C8B—Fe1B—C13B—C14B | 118.6 (7) |
C17A—C13A—C14A—C15A | −2.4 (16) | C17B—C13B—C14B—C15B | 0.4 (17) |
Fe1A—C13A—C14A—C15A | −60.3 (9) | Fe1B—C13B—C14B—C15B | 60.3 (11) |
C17A—C13A—C14A—Fe1A | 57.8 (10) | C17B—C13B—C14B—Fe1B | −59.9 (10) |
C11A—Fe1A—C14A—C13A | −167.7 (16) | C16B—Fe1B—C14B—C15B | −38.0 (7) |
C12A—Fe1A—C14A—C13A | 53.4 (13) | C10B—Fe1B—C14B—C15B | 73.4 (8) |
C9A—Fe1A—C14A—C13A | 126.9 (8) | C13B—Fe1B—C14B—C15B | −119.2 (10) |
C17A—Fe1A—C14A—C13A | −37.4 (8) | C17B—Fe1B—C14B—C15B | −82.1 (8) |
C8A—Fe1A—C14A—C13A | 83.7 (8) | C9B—Fe1B—C14B—C15B | 115.6 (7) |
C15A—Fe1A—C14A—C13A | −118.2 (11) | C12B—Fe1B—C14B—C15B | −164.3 (10) |
C10A—Fe1A—C14A—C13A | 166.6 (8) | C11B—Fe1B—C14B—C15B | 37.6 (16) |
C16A—Fe1A—C14A—C13A | −80.8 (8) | C8B—Fe1B—C14B—C15B | 158.6 (6) |
C11A—Fe1A—C14A—C15A | −49 (2) | C16B—Fe1B—C14B—C13B | 81.2 (7) |
C12A—Fe1A—C14A—C15A | 171.7 (9) | C15B—Fe1B—C14B—C13B | 119.2 (10) |
C9A—Fe1A—C14A—C15A | −114.8 (7) | C10B—Fe1B—C14B—C13B | −167.4 (7) |
C17A—Fe1A—C14A—C15A | 80.9 (8) | C17B—Fe1B—C14B—C13B | 37.2 (7) |
C8A—Fe1A—C14A—C15A | −158.1 (7) | C9B—Fe1B—C14B—C13B | −125.2 (7) |
C10A—Fe1A—C14A—C15A | −75.2 (9) | C12B—Fe1B—C14B—C13B | −45.1 (14) |
C16A—Fe1A—C14A—C15A | 37.5 (7) | C11B—Fe1B—C14B—C13B | 156.9 (12) |
C13A—Fe1A—C14A—C15A | 118.2 (11) | C8B—Fe1B—C14B—C13B | −82.2 (8) |
C13A—C14A—C15A—C16A | 2.3 (16) | C13B—C14B—C15B—C16B | −1.0 (17) |
Fe1A—C14A—C15A—C16A | −58.2 (11) | Fe1B—C14B—C15B—C16B | 59.6 (11) |
C13A—C14A—C15A—Fe1A | 60.5 (10) | C13B—C14B—C15B—Fe1B | −60.6 (10) |
C11A—Fe1A—C15A—C14A | 165.2 (7) | C16B—Fe1B—C15B—C14B | 118.8 (11) |
C12A—Fe1A—C15A—C14A | −162.6 (19) | C10B—Fe1B—C15B—C14B | −125.0 (7) |
C9A—Fe1A—C15A—C14A | 80.7 (8) | C13B—Fe1B—C15B—C14B | 38.0 (7) |
C17A—Fe1A—C15A—C14A | −82.6 (8) | C17B—Fe1B—C15B—C14B | 80.7 (8) |
C8A—Fe1A—C15A—C14A | 44.0 (13) | C9B—Fe1B—C15B—C14B | −83.3 (8) |
C10A—Fe1A—C15A—C14A | 124.7 (7) | C12B—Fe1B—C15B—C14B | 163.7 (11) |
C16A—Fe1A—C15A—C14A | −121.0 (11) | C11B—Fe1B—C15B—C14B | −165.6 (7) |
C13A—Fe1A—C15A—C14A | −38.0 (7) | C8B—Fe1B—C15B—C14B | −52.6 (16) |
C11A—Fe1A—C15A—C16A | −73.8 (9) | C14B—Fe1B—C15B—C16B | −118.8 (11) |
C12A—Fe1A—C15A—C16A | −42 (2) | C10B—Fe1B—C15B—C16B | 116.2 (8) |
C9A—Fe1A—C15A—C16A | −158.3 (8) | C13B—Fe1B—C15B—C16B | −80.7 (8) |
C17A—Fe1A—C15A—C16A | 38.4 (8) | C17B—Fe1B—C15B—C16B | −38.1 (8) |
C8A—Fe1A—C15A—C16A | 164.9 (10) | C9B—Fe1B—C15B—C16B | 157.9 (7) |
C14A—Fe1A—C15A—C16A | 121.0 (11) | C12B—Fe1B—C15B—C16B | 44.9 (16) |
C10A—Fe1A—C15A—C16A | −114.3 (8) | C11B—Fe1B—C15B—C16B | 75.6 (9) |
C13A—Fe1A—C15A—C16A | 82.9 (9) | C8B—Fe1B—C15B—C16B | −171.4 (12) |
C14A—C15A—C16A—C17A | −1.2 (16) | C14B—C15B—C16B—C17B | 1.3 (17) |
Fe1A—C15A—C16A—C17A | −59.7 (10) | Fe1B—C15B—C16B—C17B | 60.7 (10) |
C14A—C15A—C16A—Fe1A | 58.4 (10) | C14B—C15B—C16B—Fe1B | −59.4 (11) |
C11A—Fe1A—C16A—C17A | −115.0 (8) | C14B—Fe1B—C16B—C15B | 37.7 (9) |
C12A—Fe1A—C16A—C17A | −73.7 (10) | C10B—Fe1B—C16B—C15B | −81.2 (10) |
C9A—Fe1A—C16A—C17A | 163.8 (10) | C13B—Fe1B—C16B—C15B | 82.1 (9) |
C8A—Fe1A—C16A—C17A | −35 (3) | C17B—Fe1B—C16B—C15B | 118.5 (13) |
C14A—Fe1A—C16A—C17A | 81.1 (9) | C9B—Fe1B—C16B—C15B | −50.1 (16) |
C15A—Fe1A—C16A—C17A | 117.3 (13) | C12B—Fe1B—C16B—C15B | −162.8 (8) |
C10A—Fe1A—C16A—C17A | −158.0 (8) | C11B—Fe1B—C16B—C15B | −122.3 (9) |
C13A—Fe1A—C16A—C17A | 37.9 (8) | C8B—Fe1B—C16B—C15B | 169.7 (15) |
C11A—Fe1A—C16A—C15A | 127.6 (8) | C14B—Fe1B—C16B—C17B | −80.8 (9) |
C12A—Fe1A—C16A—C15A | 169.0 (8) | C15B—Fe1B—C16B—C17B | −118.5 (13) |
C9A—Fe1A—C16A—C15A | 46.5 (16) | C10B—Fe1B—C16B—C17B | 160.3 (9) |
C17A—Fe1A—C16A—C15A | −117.3 (13) | C13B—Fe1B—C16B—C17B | −36.4 (9) |
C8A—Fe1A—C16A—C15A | −152 (2) | C9B—Fe1B—C16B—C17B | −168.5 (11) |
C14A—Fe1A—C16A—C15A | −36.3 (9) | C12B—Fe1B—C16B—C17B | 78.7 (10) |
C10A—Fe1A—C16A—C15A | 84.7 (10) | C11B—Fe1B—C16B—C17B | 119.3 (9) |
C13A—Fe1A—C16A—C15A | −79.4 (9) | C8B—Fe1B—C16B—C17B | 51 (2) |
C15A—C16A—C17A—C13A | −0.3 (16) | C14B—C13B—C17B—C16B | 0.4 (17) |
Fe1A—C16A—C17A—C13A | −59.7 (10) | Fe1B—C13B—C17B—C16B | −58.1 (10) |
C15A—C16A—C17A—Fe1A | 59.5 (9) | C14B—C13B—C17B—Fe1B | 58.5 (9) |
C14A—C13A—C17A—C16A | 1.7 (16) | C15B—C16B—C17B—C13B | −1.0 (17) |
Fe1A—C13A—C17A—C16A | 59.9 (10) | Fe1B—C16B—C17B—C13B | 59.0 (10) |
C14A—C13A—C17A—Fe1A | −58.2 (9) | C15B—C16B—C17B—Fe1B | −60.1 (10) |
C11A—Fe1A—C17A—C16A | 83.6 (10) | C14B—Fe1B—C17B—C13B | −38.6 (8) |
C12A—Fe1A—C17A—C16A | 126.8 (9) | C16B—Fe1B—C17B—C13B | −120.2 (12) |
C9A—Fe1A—C17A—C16A | −153.0 (17) | C15B—Fe1B—C17B—C13B | −82.2 (9) |
C8A—Fe1A—C17A—C16A | 169.2 (9) | C10B—Fe1B—C17B—C13B | −164.5 (12) |
C14A—Fe1A—C17A—C16A | −82.9 (10) | C9B—Fe1B—C17B—C13B | 43 (2) |
C15A—Fe1A—C17A—C16A | −39.5 (10) | C12B—Fe1B—C17B—C13B | 119.2 (8) |
C10A—Fe1A—C17A—C16A | 48.3 (16) | C11B—Fe1B—C17B—C13B | 161.6 (7) |
C13A—Fe1A—C17A—C16A | −119.5 (12) | C8B—Fe1B—C17B—C13B | 77.7 (10) |
C11A—Fe1A—C17A—C13A | −156.9 (7) | C14B—Fe1B—C17B—C16B | 81.7 (9) |
C12A—Fe1A—C17A—C13A | −113.7 (8) | C15B—Fe1B—C17B—C16B | 38.1 (9) |
C9A—Fe1A—C17A—C13A | −34 (2) | C10B—Fe1B—C17B—C16B | −44.3 (17) |
C8A—Fe1A—C17A—C13A | −71.3 (9) | C13B—Fe1B—C17B—C16B | 120.2 (12) |
C14A—Fe1A—C17A—C13A | 36.5 (8) | C9B—Fe1B—C17B—C16B | 163.2 (16) |
C15A—Fe1A—C17A—C13A | 80.0 (9) | C12B—Fe1B—C17B—C16B | −120.5 (9) |
C10A—Fe1A—C17A—C13A | 167.8 (11) | C11B—Fe1B—C17B—C16B | −78.1 (9) |
C16A—Fe1A—C17A—C13A | 119.5 (12) | C8B—Fe1B—C17B—C16B | −162.1 (8) |