Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048197/hg2127sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048197/hg2127Isup2.hkl |
CCDC reference: 629901
Data collection: CrystalStructure (Rigaku/MSC, 2004); cell refinement: CrystalStructure; data reduction: CrystalStructure; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: please provide; software used to prepare material for publication: CrystalStructure.
[(C5H5)2Fe2(C24H18)] | F(000) = 568 |
Mr = 548.26 | Dx = 1.477 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71070 Å |
Hall symbol: -P 2ybc | Cell parameters from 3251 reflections |
a = 12.452 (2) Å | θ = 1.7–27.9° |
b = 8.1688 (14) Å | µ = 1.20 mm−1 |
c = 12.5419 (18) Å | T = 113 K |
β = 104.880 (9)° | Platelet, orange |
V = 1233.0 (3) Å3 | 0.20 × 0.16 × 0.02 mm |
Z = 2 |
Rigaku Saturn diffractometer | 2424 independent reflections |
Radiation source: rotating anode | 2113 reflections with I > 2σ(I) |
Confocal monochromator | Rint = 0.066 |
Detector resolution: 7.31 pixels mm-1 | θmax = 26.0°, θmin = 1.7° |
ω scans | h = −15→15 |
Absorption correction: multi-scan (Jacobson, 1998) | k = −9→10 |
Tmin = 0.796, Tmax = 0.976 | l = −15→15 |
12668 measured reflections |
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)] = 0.061 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.152 | H-atom parameters constrained |
S = 1.13 | w = 1/[σ2(Fo2) + (0.0721P)2 + 1.1009P] where P = (Fo2 + 2Fc2)/3 |
2424 reflections | (Δ/σ)max < 0.001 |
165 parameters | Δρmax = 0.92 e Å−3 |
0 restraints | Δρmin = −0.90 e Å−3 |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles |
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 | ||
Fe1 | 0.32776 (4) | 0.17867 (7) | 0.08230 (4) | 0.0256 (2) | |
C1 | 0.4662 (3) | 0.3233 (5) | 0.0886 (3) | 0.0335 (10) | |
H1 | 0.5141 | 0.3170 | 0.0408 | 0.040* | |
C2 | 0.4778 (3) | 0.2333 (5) | 0.1894 (3) | 0.0321 (9) | |
H2 | 0.5346 | 0.1562 | 0.2196 | 0.038* | |
C3 | 0.3895 (3) | 0.2797 (5) | 0.2359 (3) | 0.0307 (9) | |
H3 | 0.3780 | 0.2393 | 0.3031 | 0.037* | |
C4 | 0.3208 (3) | 0.3976 (5) | 0.1651 (3) | 0.0322 (9) | |
H4 | 0.2560 | 0.4481 | 0.1768 | 0.039* | |
C5 | 0.3678 (4) | 0.4256 (5) | 0.0729 (4) | 0.0386 (10) | |
H5 | 0.3397 | 0.4978 | 0.0129 | 0.046* | |
C6 | 0.2390 (3) | 0.0939 (5) | −0.0698 (3) | 0.0315 (9) | |
H6 | 0.2280 | 0.1493 | −0.1384 | 0.038* | |
C7 | 0.3288 (3) | −0.0141 (5) | −0.0232 (3) | 0.0294 (9) | |
H7 | 0.3880 | −0.0427 | −0.0546 | 0.035* | |
C8 | 0.3134 (3) | −0.0722 (5) | 0.0806 (3) | 0.0280 (9) | |
H8 | 0.3608 | −0.1464 | 0.1292 | 0.034* | |
C9 | 0.2140 (3) | 0.0013 (4) | 0.0983 (3) | 0.0260 (8) | |
C10 | 0.1681 (3) | 0.1050 (5) | 0.0037 (3) | 0.0300 (9) | |
H10 | 0.1025 | 0.1691 | −0.0076 | 0.036* | |
C11 | 0.1672 (3) | −0.0155 (4) | 0.1960 (3) | 0.0238 (8) | |
C12 | 0.0816 (3) | 0.0891 (5) | 0.2094 (3) | 0.0312 (9) | |
H12 | 0.0523 | 0.1681 | 0.1540 | 0.037* | |
C13 | 0.0388 (3) | 0.0805 (5) | 0.3013 (3) | 0.0318 (9) | |
H13 | −0.0188 | 0.1533 | 0.3075 | 0.038* | |
C14 | 0.0799 (3) | −0.0353 (5) | 0.3855 (3) | 0.0244 (8) | |
C15 | 0.1620 (3) | −0.1440 (5) | 0.3706 (3) | 0.0271 (8) | |
H15 | 0.1886 | −0.2265 | 0.4243 | 0.033* | |
C16 | 0.2060 (3) | −0.1340 (5) | 0.2783 (3) | 0.0276 (8) | |
H16 | 0.2626 | −0.2081 | 0.2713 | 0.033* | |
C17 | 0.0384 (3) | −0.0462 (5) | 0.4865 (3) | 0.0266 (8) | |
H17 | 0.0708 | −0.1291 | 0.5378 | 0.032* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0289 (4) | 0.0273 (4) | 0.0215 (4) | −0.0007 (2) | 0.0080 (2) | 0.0006 (2) |
C1 | 0.033 (2) | 0.034 (2) | 0.037 (2) | −0.0074 (17) | 0.0147 (18) | −0.0011 (18) |
C2 | 0.032 (2) | 0.032 (2) | 0.032 (2) | −0.0018 (18) | 0.0082 (17) | −0.0053 (18) |
C3 | 0.034 (2) | 0.036 (2) | 0.023 (2) | −0.0061 (18) | 0.0069 (16) | −0.0078 (17) |
C4 | 0.035 (2) | 0.028 (2) | 0.035 (2) | −0.0003 (17) | 0.0115 (18) | −0.0097 (18) |
C5 | 0.048 (3) | 0.028 (2) | 0.037 (2) | −0.012 (2) | 0.006 (2) | 0.0062 (19) |
C6 | 0.036 (2) | 0.038 (2) | 0.0206 (19) | −0.0057 (19) | 0.0083 (16) | −0.0022 (17) |
C7 | 0.032 (2) | 0.034 (2) | 0.025 (2) | −0.0050 (17) | 0.0127 (16) | −0.0086 (17) |
C8 | 0.031 (2) | 0.027 (2) | 0.027 (2) | 0.0002 (16) | 0.0094 (16) | −0.0017 (16) |
C9 | 0.0298 (19) | 0.0236 (19) | 0.0251 (19) | −0.0025 (16) | 0.0082 (15) | −0.0023 (16) |
C10 | 0.036 (2) | 0.032 (2) | 0.0221 (19) | −0.0021 (17) | 0.0064 (16) | 0.0019 (17) |
C11 | 0.0246 (18) | 0.0257 (19) | 0.0210 (18) | −0.0050 (15) | 0.0059 (14) | −0.0018 (15) |
C12 | 0.037 (2) | 0.032 (2) | 0.028 (2) | 0.0077 (18) | 0.0130 (17) | 0.0075 (17) |
C13 | 0.033 (2) | 0.036 (2) | 0.027 (2) | 0.0098 (18) | 0.0097 (17) | 0.0034 (18) |
C14 | 0.0277 (19) | 0.0249 (19) | 0.0216 (18) | −0.0055 (15) | 0.0082 (15) | −0.0002 (15) |
C15 | 0.032 (2) | 0.028 (2) | 0.0222 (19) | −0.0003 (16) | 0.0077 (15) | 0.0046 (16) |
C16 | 0.028 (2) | 0.028 (2) | 0.028 (2) | 0.0047 (16) | 0.0097 (16) | 0.0007 (17) |
C17 | 0.034 (2) | 0.028 (2) | 0.0187 (18) | −0.0035 (16) | 0.0079 (15) | −0.0002 (15) |
Fe1—C1 | 2.075 (4) | C11—C16 | 1.407 (5) |
Fe1—C2 | 2.051 (4) | C12—C13 | 1.390 (5) |
Fe1—C3 | 2.055 (4) | C13—C14 | 1.412 (5) |
Fe1—C4 | 2.081 (4) | C14—C15 | 1.402 (6) |
Fe1—C5 | 2.088 (4) | C14—C17 | 1.489 (5) |
Fe1—C6 | 2.063 (4) | C15—C16 | 1.405 (5) |
Fe1—C7 | 2.059 (4) | C17—C17i | 1.329 (6) |
Fe1—C8 | 2.057 (4) | C1—H1 | 0.9494 |
Fe1—C9 | 2.072 (4) | C2—H2 | 0.9501 |
Fe1—C10 | 2.069 (4) | C3—H3 | 0.9496 |
C1—C2 | 1.437 (5) | C4—H4 | 0.9506 |
C1—C5 | 1.454 (6) | C5—H5 | 0.9494 |
C2—C3 | 1.422 (5) | C6—H6 | 0.9504 |
C3—C4 | 1.434 (6) | C7—H7 | 0.9498 |
C4—C5 | 1.442 (6) | C8—H8 | 0.9500 |
C6—C7 | 1.426 (6) | C10—H10 | 0.9498 |
C6—C10 | 1.434 (5) | C12—H12 | 0.9498 |
C7—C8 | 1.444 (5) | C13—H13 | 0.9501 |
C8—C9 | 1.443 (5) | C15—H15 | 0.9502 |
C9—C10 | 1.450 (5) | C16—H16 | 0.9501 |
C9—C11 | 1.492 (5) | C17—H17 | 0.9497 |
C11—C12 | 1.409 (5) | ||
C1—Fe1—C2 | 40.78 (15) | Fe1—C7—C6 | 69.9 (2) |
C1—Fe1—C3 | 68.19 (15) | Fe1—C7—C8 | 69.4 (2) |
C1—Fe1—C4 | 68.42 (15) | C6—C7—C8 | 107.5 (3) |
C1—Fe1—C5 | 40.89 (18) | Fe1—C8—C7 | 69.5 (2) |
C1—Fe1—C6 | 117.96 (15) | Fe1—C8—C9 | 70.1 (2) |
C1—Fe1—C7 | 108.53 (15) | C7—C8—C9 | 108.6 (3) |
C1—Fe1—C8 | 129.57 (16) | Fe1—C9—C8 | 69.0 (2) |
C1—Fe1—C9 | 167.61 (15) | Fe1—C9—C10 | 69.4 (2) |
C1—Fe1—C10 | 150.61 (15) | Fe1—C9—C11 | 124.4 (2) |
C2—Fe1—C3 | 40.53 (15) | C8—C9—C10 | 106.9 (3) |
C2—Fe1—C4 | 68.52 (15) | C8—C9—C11 | 128.3 (3) |
C2—Fe1—C5 | 68.67 (18) | C10—C9—C11 | 124.8 (3) |
C2—Fe1—C6 | 149.35 (15) | Fe1—C10—C6 | 69.5 (2) |
C2—Fe1—C7 | 115.62 (16) | Fe1—C10—C9 | 69.6 (2) |
C2—Fe1—C8 | 106.61 (16) | C6—C10—C9 | 108.1 (3) |
C2—Fe1—C9 | 128.27 (15) | C9—C11—C12 | 120.6 (3) |
C2—Fe1—C10 | 167.92 (15) | C9—C11—C16 | 122.2 (3) |
C3—Fe1—C4 | 40.58 (15) | C12—C11—C16 | 117.2 (3) |
C3—Fe1—C5 | 68.15 (17) | C11—C12—C13 | 122.1 (4) |
C3—Fe1—C6 | 169.79 (16) | C12—C13—C14 | 120.8 (4) |
C3—Fe1—C7 | 147.89 (16) | C13—C14—C15 | 117.5 (3) |
C3—Fe1—C8 | 114.87 (15) | C13—C14—C17 | 122.6 (3) |
C3—Fe1—C9 | 106.89 (15) | C15—C14—C17 | 120.0 (3) |
C3—Fe1—C10 | 130.24 (15) | C14—C15—C16 | 121.7 (4) |
C4—Fe1—C5 | 40.47 (17) | C11—C16—C15 | 120.8 (4) |
C4—Fe1—C6 | 131.97 (15) | C14—C17—C17i | 127.8 (4) |
C4—Fe1—C7 | 170.36 (15) | Fe1—C1—H1 | 126.56 |
C4—Fe1—C8 | 147.87 (15) | C2—C1—H1 | 126.17 |
C4—Fe1—C9 | 115.82 (15) | C5—C1—H1 | 126.14 |
C4—Fe1—C10 | 109.25 (15) | Fe1—C2—H2 | 125.21 |
C5—Fe1—C6 | 110.54 (18) | C1—C2—H2 | 125.88 |
C5—Fe1—C7 | 131.41 (17) | C3—C2—H2 | 126.02 |
C5—Fe1—C8 | 169.48 (18) | Fe1—C3—H3 | 125.95 |
C5—Fe1—C9 | 149.32 (17) | C2—C3—H3 | 125.46 |
C5—Fe1—C10 | 117.92 (18) | C4—C3—H3 | 125.51 |
C6—Fe1—C7 | 40.49 (15) | Fe1—C4—H4 | 126.57 |
C6—Fe1—C8 | 68.38 (15) | C3—C4—H4 | 126.21 |
C6—Fe1—C9 | 68.75 (15) | C5—C4—H4 | 126.18 |
C6—Fe1—C10 | 40.60 (15) | Fe1—C5—H5 | 126.87 |
C7—Fe1—C8 | 41.08 (15) | C1—C5—H5 | 126.20 |
C7—Fe1—C9 | 69.19 (15) | C4—C5—H5 | 126.25 |
C7—Fe1—C10 | 68.60 (15) | Fe1—C6—H6 | 126.56 |
C8—Fe1—C9 | 40.92 (15) | C7—C6—H6 | 125.52 |
C8—Fe1—C10 | 68.58 (16) | C10—C6—H6 | 125.63 |
C9—Fe1—C10 | 41.01 (15) | Fe1—C7—H7 | 126.03 |
Fe1—C1—C2 | 68.7 (2) | C6—C7—H7 | 126.33 |
Fe1—C1—C5 | 70.1 (2) | C8—C7—H7 | 126.15 |
C2—C1—C5 | 107.7 (3) | Fe1—C8—H8 | 126.23 |
Fe1—C2—C1 | 70.5 (2) | C7—C8—H8 | 125.71 |
Fe1—C2—C3 | 69.9 (2) | C9—C8—H8 | 125.65 |
C1—C2—C3 | 108.1 (3) | Fe1—C10—H10 | 126.52 |
Fe1—C3—C2 | 69.6 (2) | C6—C10—H10 | 125.94 |
Fe1—C3—C4 | 70.7 (2) | C9—C10—H10 | 125.96 |
C2—C3—C4 | 109.0 (3) | C11—C12—H12 | 119.00 |
Fe1—C4—C3 | 68.7 (2) | C13—C12—H12 | 118.93 |
Fe1—C4—C5 | 70.0 (2) | C12—C13—H13 | 119.63 |
C3—C4—C5 | 107.6 (3) | C14—C13—H13 | 119.62 |
Fe1—C5—C1 | 69.0 (2) | C14—C15—H15 | 119.21 |
Fe1—C5—C4 | 69.5 (2) | C16—C15—H15 | 119.12 |
C1—C5—C4 | 107.6 (4) | C11—C16—H16 | 119.58 |
Fe1—C6—C7 | 69.6 (2) | C15—C16—H16 | 119.65 |
Fe1—C6—C10 | 69.9 (2) | C14—C17—H17 | 116.06 |
C7—C6—C10 | 108.8 (3) | C17i—C17—H17 | 116.15 |
C2—Fe1—C1—C5 | −119.2 (3) | C2—Fe1—C8—C9 | 130.0 (2) |
C3—Fe1—C1—C2 | 37.9 (2) | C3—Fe1—C8—C7 | −152.8 (2) |
C3—Fe1—C1—C5 | −81.4 (3) | C3—Fe1—C8—C9 | 87.4 (2) |
C4—Fe1—C1—C2 | 81.7 (2) | C4—Fe1—C8—C7 | 174.0 (3) |
C4—Fe1—C1—C5 | −37.5 (2) | C4—Fe1—C8—C9 | 54.1 (4) |
C5—Fe1—C1—C2 | 119.2 (3) | C6—Fe1—C8—C7 | 37.8 (2) |
C6—Fe1—C1—C2 | −151.1 (2) | C6—Fe1—C8—C9 | −82.1 (2) |
C6—Fe1—C1—C5 | 89.6 (3) | C7—Fe1—C8—C9 | −119.9 (3) |
C7—Fe1—C1—C2 | −108.0 (2) | C9—Fe1—C8—C7 | 119.9 (3) |
C7—Fe1—C1—C5 | 132.7 (3) | C10—Fe1—C8—C7 | 81.6 (2) |
C8—Fe1—C1—C2 | −67.0 (3) | C10—Fe1—C8—C9 | −38.3 (2) |
C8—Fe1—C1—C5 | 173.8 (2) | C2—Fe1—C9—C8 | −69.2 (3) |
C10—Fe1—C1—C2 | 172.9 (3) | C2—Fe1—C9—C10 | 172.3 (2) |
C10—Fe1—C1—C5 | 53.6 (4) | C2—Fe1—C9—C11 | 53.5 (4) |
C1—Fe1—C2—C3 | 118.7 (3) | C3—Fe1—C9—C8 | −108.7 (2) |
C3—Fe1—C2—C1 | −118.7 (3) | C3—Fe1—C9—C10 | 132.8 (2) |
C4—Fe1—C2—C1 | −81.4 (2) | C3—Fe1—C9—C11 | 14.0 (3) |
C4—Fe1—C2—C3 | 37.3 (2) | C4—Fe1—C9—C8 | −151.4 (2) |
C5—Fe1—C2—C1 | −37.8 (2) | C4—Fe1—C9—C10 | 90.1 (2) |
C5—Fe1—C2—C3 | 80.9 (3) | C4—Fe1—C9—C11 | −28.7 (3) |
C6—Fe1—C2—C1 | 56.8 (4) | C5—Fe1—C9—C8 | 175.8 (3) |
C6—Fe1—C2—C3 | 175.5 (3) | C5—Fe1—C9—C10 | 57.3 (4) |
C7—Fe1—C2—C1 | 89.1 (3) | C5—Fe1—C9—C11 | −61.4 (5) |
C7—Fe1—C2—C3 | −152.2 (2) | C6—Fe1—C9—C8 | 81.1 (2) |
C8—Fe1—C2—C1 | 132.2 (2) | C6—Fe1—C9—C10 | −37.4 (2) |
C8—Fe1—C2—C3 | −109.1 (2) | C6—Fe1—C9—C11 | −156.2 (3) |
C9—Fe1—C2—C1 | 172.0 (2) | C7—Fe1—C9—C8 | 37.6 (2) |
C9—Fe1—C2—C3 | −69.3 (3) | C7—Fe1—C9—C10 | −80.9 (2) |
C1—Fe1—C3—C2 | −38.1 (2) | C7—Fe1—C9—C11 | 160.3 (3) |
C1—Fe1—C3—C4 | 81.9 (2) | C8—Fe1—C9—C10 | −118.5 (3) |
C2—Fe1—C3—C4 | 120.0 (3) | C8—Fe1—C9—C11 | 122.7 (4) |
C4—Fe1—C3—C2 | −120.0 (3) | C10—Fe1—C9—C8 | 118.5 (3) |
C5—Fe1—C3—C2 | −82.3 (3) | C10—Fe1—C9—C11 | −118.8 (4) |
C5—Fe1—C3—C4 | 37.7 (2) | C1—Fe1—C10—C6 | 52.9 (4) |
C7—Fe1—C3—C2 | 52.3 (4) | C1—Fe1—C10—C9 | 172.5 (3) |
C7—Fe1—C3—C4 | 172.2 (3) | C3—Fe1—C10—C6 | 173.6 (2) |
C8—Fe1—C3—C2 | 86.7 (3) | C3—Fe1—C10—C9 | −66.9 (3) |
C8—Fe1—C3—C4 | −153.3 (2) | C4—Fe1—C10—C6 | 132.9 (2) |
C9—Fe1—C3—C2 | 129.9 (2) | C4—Fe1—C10—C9 | −107.5 (2) |
C9—Fe1—C3—C4 | −110.2 (2) | C5—Fe1—C10—C6 | 89.5 (3) |
C10—Fe1—C3—C2 | 169.0 (2) | C5—Fe1—C10—C9 | −150.9 (2) |
C10—Fe1—C3—C4 | −71.1 (3) | C6—Fe1—C10—C9 | 119.5 (3) |
C1—Fe1—C4—C3 | −81.2 (2) | C7—Fe1—C10—C6 | −37.1 (2) |
C1—Fe1—C4—C5 | 37.9 (3) | C7—Fe1—C10—C9 | 82.5 (2) |
C2—Fe1—C4—C3 | −37.2 (2) | C8—Fe1—C10—C6 | −81.3 (2) |
C2—Fe1—C4—C5 | 81.9 (3) | C8—Fe1—C10—C9 | 38.2 (2) |
C3—Fe1—C4—C5 | 119.1 (3) | C9—Fe1—C10—C6 | −119.5 (3) |
C5—Fe1—C4—C3 | −119.1 (3) | C5—C1—C2—C3 | −0.6 (5) |
C6—Fe1—C4—C3 | 170.0 (2) | Fe1—C1—C5—C4 | 59.0 (3) |
C6—Fe1—C4—C5 | −70.9 (3) | C5—C1—C2—Fe1 | 59.4 (3) |
C8—Fe1—C4—C3 | 49.9 (4) | C2—C1—C5—C4 | 0.4 (5) |
C8—Fe1—C4—C5 | 169.1 (3) | C2—C1—C5—Fe1 | −58.6 (3) |
C9—Fe1—C4—C3 | 86.1 (2) | Fe1—C1—C2—C3 | −60.0 (3) |
C9—Fe1—C4—C5 | −154.8 (3) | Fe1—C2—C3—C4 | −59.9 (3) |
C10—Fe1—C4—C3 | 130.1 (2) | C1—C2—C3—C4 | 0.5 (5) |
C10—Fe1—C4—C5 | −110.8 (3) | C1—C2—C3—Fe1 | 60.4 (3) |
C1—Fe1—C5—C4 | −119.2 (3) | Fe1—C3—C4—C5 | −59.5 (3) |
C2—Fe1—C5—C1 | 37.7 (2) | C2—C3—C4—Fe1 | 59.2 (3) |
C2—Fe1—C5—C4 | −81.5 (3) | C2—C3—C4—C5 | −0.3 (5) |
C3—Fe1—C5—C1 | 81.5 (2) | Fe1—C4—C5—C1 | −58.7 (3) |
C3—Fe1—C5—C4 | −37.8 (2) | C3—C4—C5—Fe1 | 58.7 (3) |
C4—Fe1—C5—C1 | 119.2 (3) | C3—C4—C5—C1 | −0.1 (5) |
C6—Fe1—C5—C1 | −109.4 (2) | C10—C6—C7—C8 | 0.4 (4) |
C6—Fe1—C5—C4 | 131.4 (2) | Fe1—C6—C10—C9 | −59.1 (3) |
C7—Fe1—C5—C1 | −68.2 (3) | C10—C6—C7—Fe1 | −59.0 (3) |
C7—Fe1—C5—C4 | 172.6 (2) | C7—C6—C10—C9 | −0.2 (4) |
C9—Fe1—C5—C1 | 167.9 (3) | C7—C6—C10—Fe1 | 58.9 (3) |
C9—Fe1—C5—C4 | 48.7 (4) | Fe1—C6—C7—C8 | 59.4 (3) |
C10—Fe1—C5—C1 | −153.4 (2) | Fe1—C7—C8—C9 | 59.4 (3) |
C10—Fe1—C5—C4 | 87.4 (3) | C6—C7—C8—Fe1 | −59.8 (3) |
C1—Fe1—C6—C7 | 86.1 (3) | C6—C7—C8—C9 | −0.4 (4) |
C1—Fe1—C6—C10 | −153.7 (2) | Fe1—C8—C9—C10 | 59.3 (2) |
C2—Fe1—C6—C7 | 47.9 (4) | Fe1—C8—C9—C11 | −117.9 (4) |
C2—Fe1—C6—C10 | 168.1 (3) | C7—C8—C9—Fe1 | −59.0 (3) |
C4—Fe1—C6—C7 | 171.4 (2) | C7—C8—C9—C10 | 0.2 (4) |
C4—Fe1—C6—C10 | −68.4 (3) | C7—C8—C9—C11 | −176.9 (3) |
C5—Fe1—C6—C7 | 130.5 (2) | C8—C9—C10—C6 | 0.0 (4) |
C5—Fe1—C6—C10 | −109.3 (3) | C11—C9—C10—Fe1 | 118.3 (3) |
C7—Fe1—C6—C10 | 120.2 (3) | C11—C9—C10—C6 | 177.3 (3) |
C8—Fe1—C6—C7 | −38.3 (2) | Fe1—C9—C11—C12 | 78.4 (4) |
C8—Fe1—C6—C10 | 81.9 (2) | Fe1—C9—C11—C16 | −101.3 (4) |
C9—Fe1—C6—C7 | −82.4 (2) | C8—C9—C11—C12 | 167.6 (4) |
C9—Fe1—C6—C10 | 37.8 (2) | C8—C9—C11—C16 | −12.1 (6) |
C10—Fe1—C6—C7 | −120.2 (3) | Fe1—C9—C10—C6 | 59.0 (3) |
C1—Fe1—C7—C6 | −111.7 (2) | C8—C9—C10—Fe1 | −59.0 (3) |
C1—Fe1—C7—C8 | 129.6 (2) | C10—C9—C11—C16 | 171.2 (4) |
C2—Fe1—C7—C6 | −155.2 (2) | C10—C9—C11—C12 | −9.1 (6) |
C2—Fe1—C7—C8 | 86.1 (2) | C9—C11—C12—C13 | −177.7 (4) |
C3—Fe1—C7—C6 | 170.1 (3) | C16—C11—C12—C13 | 2.0 (6) |
C3—Fe1—C7—C8 | 51.4 (4) | C12—C11—C16—C15 | −1.2 (5) |
C5—Fe1—C7—C6 | −71.8 (3) | C9—C11—C16—C15 | 178.4 (3) |
C5—Fe1—C7—C8 | 169.5 (3) | C11—C12—C13—C14 | −0.2 (6) |
C6—Fe1—C7—C8 | −118.7 (3) | C12—C13—C14—C17 | 178.5 (4) |
C8—Fe1—C7—C6 | 118.7 (3) | C12—C13—C14—C15 | −2.3 (6) |
C9—Fe1—C7—C6 | 81.3 (2) | C17—C14—C15—C16 | −177.8 (4) |
C9—Fe1—C7—C8 | −37.4 (2) | C13—C14—C17—C17i | −0.8 (7) |
C10—Fe1—C7—C6 | 37.2 (2) | C13—C14—C15—C16 | 3.0 (6) |
C10—Fe1—C7—C8 | −81.5 (2) | C15—C14—C17—C17i | −180.0 (4) |
C1—Fe1—C8—C7 | −71.3 (3) | C14—C15—C16—C11 | −1.3 (6) |
C1—Fe1—C8—C9 | 168.9 (2) | C14—C17—C17i—C14i | 180.0 (4) |
C2—Fe1—C8—C7 | −110.2 (2) |
Symmetry code: (i) −x, −y, −z+1. |