Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680502711X/bt6723sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680502711X/bt6723Isup2.hkl |
CCDC reference: 285501
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.
[Fe(C5H5)(C13H13N2O2)] | Z = 2 |
Mr = 350.19 | F(000) = 364 |
Triclinic, P1 | Dx = 1.478 Mg m−3 |
a = 8.2896 (14) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 9.7588 (16) Å | Cell parameters from 2812 reflections |
c = 10.5669 (17) Å | θ = 2.7–26.5° |
α = 90.153 (3)° | µ = 0.97 mm−1 |
β = 109.629 (2)° | T = 293 K |
γ = 101.455 (2)° | Block, yellow |
V = 786.9 (2) Å3 | 0.28 × 0.20 × 0.12 mm |
Bruker SMART CCD area-detector diffractometer | 2751 independent reflections |
Radiation source: fine-focus sealed tube | 2491 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.016 |
φ and ω scans | θmax = 25.0°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −9→9 |
Tmin = 0.719, Tmax = 0.890 | k = −10→11 |
4000 measured reflections | l = −12→11 |
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)] = 0.027 | H-atom parameters constrained |
wR(F2) = 0.073 | w = 1/[σ2(Fo2) + (0.0411P)2 + 0.1823P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
2751 reflections | Δρmax = 0.25 e Å−3 |
210 parameters | Δρmin = −0.27 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.064 (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 | ||
Fe1 | 0.60324 (3) | 0.57687 (3) | 0.77733 (2) | 0.02979 (12) | |
O1 | 1.0486 (2) | 0.60154 (17) | 0.39225 (17) | 0.0599 (4) | |
O2 | 1.0483 (3) | 0.7810 (2) | 0.27453 (17) | 0.0697 (5) | |
N1 | 1.0727 (2) | 0.7283 (2) | 0.38315 (18) | 0.0450 (4) | |
N2 | 1.1589 (2) | 0.79651 (16) | 0.86146 (16) | 0.0363 (4) | |
C1 | 1.1714 (2) | 0.84975 (19) | 0.7420 (2) | 0.0335 (4) | |
C2 | 1.1152 (2) | 0.76466 (19) | 0.62206 (19) | 0.0347 (4) | |
H2 | 1.0651 | 0.6701 | 0.6197 | 0.042* | |
C3 | 1.1344 (2) | 0.8216 (2) | 0.5072 (2) | 0.0379 (4) | |
C4 | 1.2097 (3) | 0.9597 (2) | 0.5025 (3) | 0.0534 (6) | |
H4 | 1.2204 | 0.9951 | 0.4234 | 0.064* | |
C5 | 1.2682 (3) | 1.0425 (2) | 0.6212 (3) | 0.0600 (7) | |
H5 | 1.3222 | 1.1360 | 0.6228 | 0.072* | |
C6 | 1.2492 (3) | 0.9913 (2) | 0.7382 (2) | 0.0487 (5) | |
H6 | 1.2885 | 1.0511 | 0.8159 | 0.058* | |
C7 | 1.2013 (3) | 0.8955 (2) | 0.9772 (2) | 0.0505 (5) | |
H7A | 1.3228 | 0.9413 | 1.0047 | 0.076* | |
H7B | 1.1790 | 0.8463 | 1.0501 | 0.076* | |
H7C | 1.1301 | 0.9644 | 0.9530 | 0.076* | |
C8 | 1.0213 (2) | 0.67246 (19) | 0.85545 (19) | 0.0335 (4) | |
H8A | 1.0537 | 0.6293 | 0.9405 | 0.040* | |
H8B | 1.0135 | 0.6047 | 0.7852 | 0.040* | |
C9 | 0.8450 (2) | 0.70834 (18) | 0.82767 (18) | 0.0316 (4) | |
C10 | 0.7640 (3) | 0.7284 (2) | 0.9242 (2) | 0.0389 (4) | |
H10 | 0.8094 | 0.7173 | 1.0160 | 0.047* | |
C11 | 0.6026 (3) | 0.7683 (2) | 0.8566 (2) | 0.0446 (5) | |
H11 | 0.5237 | 0.7869 | 0.8961 | 0.054* | |
C12 | 0.5831 (3) | 0.7746 (2) | 0.7183 (2) | 0.0434 (5) | |
H12 | 0.4896 | 0.7990 | 0.6512 | 0.052* | |
C13 | 0.7314 (2) | 0.73732 (19) | 0.70031 (19) | 0.0348 (4) | |
H13 | 0.7512 | 0.7326 | 0.6190 | 0.042* | |
C14 | 0.6393 (3) | 0.3756 (2) | 0.7761 (2) | 0.0417 (5) | |
H14 | 0.7466 | 0.3490 | 0.7983 | 0.050* | |
C15 | 0.5358 (3) | 0.40409 (19) | 0.6463 (2) | 0.0381 (4) | |
H15 | 0.5632 | 0.3994 | 0.5681 | 0.046* | |
C16 | 0.3833 (3) | 0.4409 (2) | 0.6560 (2) | 0.0411 (5) | |
H16 | 0.2929 | 0.4647 | 0.5855 | 0.049* | |
C17 | 0.3928 (3) | 0.4353 (2) | 0.7922 (2) | 0.0452 (5) | |
H17 | 0.3097 | 0.4548 | 0.8268 | 0.054* | |
C18 | 0.5509 (3) | 0.3947 (2) | 0.8665 (2) | 0.0460 (5) | |
H18 | 0.5898 | 0.3828 | 0.9583 | 0.055* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.02854 (17) | 0.02919 (17) | 0.02987 (17) | 0.00134 (11) | 0.01045 (11) | 0.00150 (10) |
O1 | 0.0762 (12) | 0.0464 (10) | 0.0559 (10) | 0.0016 (8) | 0.0275 (9) | −0.0056 (8) |
O2 | 0.0887 (14) | 0.0813 (13) | 0.0463 (10) | 0.0297 (11) | 0.0254 (9) | 0.0174 (9) |
N1 | 0.0386 (9) | 0.0543 (12) | 0.0464 (11) | 0.0123 (8) | 0.0186 (8) | 0.0051 (9) |
N2 | 0.0273 (8) | 0.0353 (9) | 0.0401 (9) | 0.0004 (7) | 0.0071 (7) | −0.0048 (7) |
C1 | 0.0223 (9) | 0.0302 (9) | 0.0463 (11) | 0.0056 (7) | 0.0096 (8) | 0.0014 (8) |
C2 | 0.0276 (9) | 0.0277 (9) | 0.0480 (11) | 0.0041 (7) | 0.0130 (8) | 0.0025 (8) |
C3 | 0.0304 (10) | 0.0380 (11) | 0.0472 (12) | 0.0103 (8) | 0.0141 (9) | 0.0074 (9) |
C4 | 0.0577 (14) | 0.0435 (12) | 0.0641 (15) | 0.0103 (11) | 0.0273 (12) | 0.0184 (11) |
C5 | 0.0654 (16) | 0.0298 (11) | 0.0798 (18) | −0.0031 (10) | 0.0260 (13) | 0.0103 (12) |
C6 | 0.0477 (12) | 0.0305 (11) | 0.0620 (14) | 0.0024 (9) | 0.0145 (11) | −0.0026 (10) |
C7 | 0.0474 (13) | 0.0459 (12) | 0.0483 (13) | −0.0004 (10) | 0.0095 (10) | −0.0102 (10) |
C8 | 0.0318 (9) | 0.0315 (10) | 0.0335 (10) | 0.0045 (8) | 0.0075 (8) | 0.0034 (8) |
C9 | 0.0298 (9) | 0.0271 (9) | 0.0338 (10) | −0.0002 (7) | 0.0093 (8) | 0.0003 (7) |
C10 | 0.0411 (11) | 0.0369 (11) | 0.0351 (10) | −0.0014 (8) | 0.0140 (9) | −0.0057 (8) |
C11 | 0.0381 (11) | 0.0352 (11) | 0.0636 (14) | 0.0040 (9) | 0.0237 (10) | −0.0073 (9) |
C12 | 0.0329 (10) | 0.0342 (10) | 0.0595 (14) | 0.0071 (8) | 0.0111 (9) | 0.0092 (9) |
C13 | 0.0312 (10) | 0.0325 (10) | 0.0368 (10) | 0.0004 (8) | 0.0099 (8) | 0.0087 (8) |
C14 | 0.0487 (12) | 0.0311 (10) | 0.0437 (12) | 0.0079 (9) | 0.0139 (9) | 0.0060 (8) |
C15 | 0.0470 (11) | 0.0316 (10) | 0.0333 (10) | −0.0013 (8) | 0.0161 (9) | −0.0022 (8) |
C16 | 0.0357 (10) | 0.0388 (11) | 0.0384 (11) | −0.0059 (8) | 0.0071 (8) | −0.0008 (9) |
C17 | 0.0433 (12) | 0.0412 (11) | 0.0515 (13) | −0.0080 (9) | 0.0266 (10) | −0.0019 (9) |
C18 | 0.0601 (14) | 0.0388 (11) | 0.0335 (11) | −0.0033 (10) | 0.0167 (10) | 0.0070 (9) |
Fe1—C15 | 2.0414 (19) | C7—H7A | 0.9600 |
Fe1—C13 | 2.0419 (18) | C7—H7B | 0.9600 |
Fe1—C14 | 2.045 (2) | C7—H7C | 0.9600 |
Fe1—C16 | 2.0461 (19) | C8—C9 | 1.504 (3) |
Fe1—C10 | 2.0465 (19) | C8—H8A | 0.9700 |
Fe1—C11 | 2.047 (2) | C8—H8B | 0.9700 |
Fe1—C9 | 2.0503 (18) | C9—C13 | 1.426 (3) |
Fe1—C17 | 2.0507 (19) | C9—C10 | 1.429 (3) |
Fe1—C12 | 2.051 (2) | C10—C11 | 1.420 (3) |
Fe1—C18 | 2.052 (2) | C10—H10 | 0.9300 |
O1—N1 | 1.222 (2) | C11—C12 | 1.418 (3) |
O2—N1 | 1.230 (2) | C11—H11 | 0.9300 |
N1—C3 | 1.472 (3) | C12—C13 | 1.420 (3) |
N2—C1 | 1.395 (3) | C12—H12 | 0.9300 |
N2—C7 | 1.457 (3) | C13—H13 | 0.9300 |
N2—C8 | 1.474 (2) | C14—C15 | 1.415 (3) |
C1—C2 | 1.398 (3) | C14—C18 | 1.417 (3) |
C1—C6 | 1.410 (3) | C14—H14 | 0.9300 |
C2—C3 | 1.381 (3) | C15—C16 | 1.417 (3) |
C2—H2 | 0.9300 | C15—H15 | 0.9300 |
C3—C4 | 1.376 (3) | C16—C17 | 1.416 (3) |
C4—C5 | 1.376 (4) | C16—H16 | 0.9300 |
C4—H4 | 0.9300 | C17—C18 | 1.417 (3) |
C5—C6 | 1.380 (3) | C17—H17 | 0.9300 |
C5—H5 | 0.9300 | C18—H18 | 0.9300 |
C6—H6 | 0.9300 | ||
C15—Fe1—C13 | 107.21 (8) | H7A—C7—H7B | 109.5 |
C15—Fe1—C14 | 40.52 (8) | N2—C7—H7C | 109.5 |
C13—Fe1—C14 | 124.14 (8) | H7A—C7—H7C | 109.5 |
C15—Fe1—C16 | 40.56 (8) | H7B—C7—H7C | 109.5 |
C13—Fe1—C16 | 121.17 (8) | N2—C8—C9 | 112.40 (15) |
C14—Fe1—C16 | 68.14 (9) | N2—C8—H8A | 109.1 |
C15—Fe1—C10 | 157.32 (9) | C9—C8—H8A | 109.1 |
C13—Fe1—C10 | 68.24 (8) | N2—C8—H8B | 109.1 |
C14—Fe1—C10 | 122.30 (9) | C9—C8—H8B | 109.1 |
C16—Fe1—C10 | 161.01 (8) | H8A—C8—H8B | 107.9 |
C15—Fe1—C11 | 160.40 (9) | C13—C9—C10 | 106.88 (17) |
C13—Fe1—C11 | 68.32 (8) | C13—C9—C8 | 126.17 (17) |
C14—Fe1—C11 | 157.71 (9) | C10—C9—C8 | 126.84 (17) |
C16—Fe1—C11 | 124.08 (9) | C13—C9—Fe1 | 69.29 (10) |
C10—Fe1—C11 | 40.60 (8) | C10—C9—Fe1 | 69.45 (10) |
C15—Fe1—C9 | 121.18 (8) | C8—C9—Fe1 | 129.09 (13) |
C13—Fe1—C9 | 40.79 (7) | C11—C10—C9 | 108.58 (18) |
C14—Fe1—C9 | 107.54 (8) | C11—C10—Fe1 | 69.71 (11) |
C16—Fe1—C9 | 156.59 (8) | C9—C10—Fe1 | 69.73 (10) |
C10—Fe1—C9 | 40.82 (7) | C11—C10—H10 | 125.7 |
C11—Fe1—C9 | 68.76 (8) | C9—C10—H10 | 125.7 |
C15—Fe1—C17 | 68.09 (8) | Fe1—C10—H10 | 126.4 |
C13—Fe1—C17 | 156.75 (9) | C12—C11—C10 | 107.90 (18) |
C14—Fe1—C17 | 68.04 (9) | C12—C11—Fe1 | 69.90 (12) |
C16—Fe1—C17 | 40.45 (8) | C10—C11—Fe1 | 69.69 (11) |
C10—Fe1—C17 | 124.91 (8) | C12—C11—H11 | 126.0 |
C11—Fe1—C17 | 108.03 (9) | C10—C11—H11 | 126.0 |
C9—Fe1—C17 | 161.33 (8) | Fe1—C11—H11 | 125.9 |
C15—Fe1—C12 | 123.81 (9) | C11—C12—C13 | 107.98 (18) |
C13—Fe1—C12 | 40.59 (8) | C11—C12—Fe1 | 69.60 (12) |
C14—Fe1—C12 | 160.50 (9) | C13—C12—Fe1 | 69.37 (11) |
C16—Fe1—C12 | 107.34 (9) | C11—C12—H12 | 126.0 |
C10—Fe1—C12 | 68.13 (9) | C13—C12—H12 | 126.0 |
C11—Fe1—C12 | 40.50 (9) | Fe1—C12—H12 | 126.6 |
C9—Fe1—C12 | 68.62 (8) | C12—C13—C9 | 108.64 (17) |
C17—Fe1—C12 | 121.69 (9) | C12—C13—Fe1 | 70.04 (11) |
C15—Fe1—C18 | 68.08 (8) | C9—C13—Fe1 | 69.92 (10) |
C13—Fe1—C18 | 161.04 (9) | C12—C13—H13 | 125.7 |
C14—Fe1—C18 | 40.46 (9) | C9—C13—H13 | 125.7 |
C16—Fe1—C18 | 68.03 (8) | Fe1—C13—H13 | 125.9 |
C10—Fe1—C18 | 108.59 (8) | C15—C14—C18 | 108.01 (19) |
C11—Fe1—C18 | 122.31 (9) | C15—C14—Fe1 | 69.59 (11) |
C9—Fe1—C18 | 124.58 (8) | C18—C14—Fe1 | 70.04 (12) |
C17—Fe1—C18 | 40.40 (9) | C15—C14—H14 | 126.0 |
C12—Fe1—C18 | 157.32 (9) | C18—C14—H14 | 126.0 |
O1—N1—O2 | 122.6 (2) | Fe1—C14—H14 | 126.0 |
O1—N1—C3 | 118.75 (17) | C14—C15—C16 | 108.07 (17) |
O2—N1—C3 | 118.64 (19) | C14—C15—Fe1 | 69.89 (11) |
C1—N2—C7 | 118.00 (17) | C16—C15—Fe1 | 69.90 (11) |
C1—N2—C8 | 119.43 (15) | C14—C15—H15 | 126.0 |
C7—N2—C8 | 113.76 (16) | C16—C15—H15 | 126.0 |
N2—C1—C2 | 121.90 (17) | Fe1—C15—H15 | 125.8 |
N2—C1—C6 | 121.23 (19) | C17—C16—C15 | 107.92 (19) |
C2—C1—C6 | 116.81 (19) | C17—C16—Fe1 | 69.95 (11) |
C3—C2—C1 | 119.70 (18) | C15—C16—Fe1 | 69.54 (11) |
C3—C2—H2 | 120.1 | C17—C16—H16 | 126.0 |
C1—C2—H2 | 120.1 | C15—C16—H16 | 126.0 |
C4—C3—C2 | 123.8 (2) | Fe1—C16—H16 | 126.0 |
C4—C3—N1 | 118.32 (19) | C16—C17—C18 | 108.05 (19) |
C2—C3—N1 | 117.83 (17) | C16—C17—Fe1 | 69.60 (11) |
C5—C4—C3 | 116.4 (2) | C18—C17—Fe1 | 69.86 (11) |
C5—C4—H4 | 121.8 | C16—C17—H17 | 126.0 |
C3—C4—H4 | 121.8 | C18—C17—H17 | 126.0 |
C4—C5—C6 | 122.0 (2) | Fe1—C17—H17 | 126.1 |
C4—C5—H5 | 119.0 | C17—C18—C14 | 107.94 (18) |
C6—C5—H5 | 119.0 | C17—C18—Fe1 | 69.74 (11) |
C5—C6—C1 | 121.3 (2) | C14—C18—Fe1 | 69.50 (11) |
C5—C6—H6 | 119.4 | C17—C18—H18 | 126.0 |
C1—C6—H6 | 119.4 | C14—C18—H18 | 126.0 |
N2—C7—H7A | 109.5 | Fe1—C18—H18 | 126.3 |
N2—C7—H7B | 109.5 | ||
C7—N2—C1—C2 | −172.91 (17) | C10—C9—C13—Fe1 | −59.54 (12) |
C8—N2—C1—C2 | −27.5 (3) | C8—C9—C13—Fe1 | 123.96 (17) |
C7—N2—C1—C6 | 10.1 (3) | C15—Fe1—C13—C12 | 122.26 (13) |
C8—N2—C1—C6 | 155.54 (18) | C14—Fe1—C13—C12 | 163.54 (12) |
N2—C1—C2—C3 | −178.38 (16) | C16—Fe1—C13—C12 | 80.18 (14) |
C6—C1—C2—C3 | −1.3 (3) | C10—Fe1—C13—C12 | −81.34 (13) |
C1—C2—C3—C4 | 1.1 (3) | C11—Fe1—C13—C12 | −37.48 (13) |
C1—C2—C3—N1 | −179.74 (16) | C9—Fe1—C13—C12 | −119.66 (17) |
O1—N1—C3—C4 | 161.2 (2) | C17—Fe1—C13—C12 | 47.8 (3) |
O2—N1—C3—C4 | −18.4 (3) | C18—Fe1—C13—C12 | −165.3 (2) |
O1—N1—C3—C2 | −18.0 (3) | C15—Fe1—C13—C9 | −118.08 (12) |
O2—N1—C3—C2 | 162.37 (18) | C14—Fe1—C13—C9 | −76.80 (14) |
C2—C3—C4—C5 | 0.2 (3) | C16—Fe1—C13—C9 | −160.16 (11) |
N1—C3—C4—C5 | −178.9 (2) | C10—Fe1—C13—C9 | 38.32 (11) |
C3—C4—C5—C6 | −1.4 (4) | C11—Fe1—C13—C9 | 82.18 (12) |
C4—C5—C6—C1 | 1.3 (4) | C17—Fe1—C13—C9 | 167.51 (18) |
N2—C1—C6—C5 | 177.3 (2) | C12—Fe1—C13—C9 | 119.66 (17) |
C2—C1—C6—C5 | 0.1 (3) | C18—Fe1—C13—C9 | −45.6 (3) |
C1—N2—C8—C9 | −78.8 (2) | C13—Fe1—C14—C15 | −75.93 (14) |
C7—N2—C8—C9 | 68.1 (2) | C16—Fe1—C14—C15 | 37.76 (12) |
N2—C8—C9—C13 | 76.8 (2) | C10—Fe1—C14—C15 | −160.12 (11) |
N2—C8—C9—C10 | −99.0 (2) | C11—Fe1—C14—C15 | 165.58 (18) |
N2—C8—C9—Fe1 | 168.48 (13) | C9—Fe1—C14—C15 | −117.77 (12) |
C15—Fe1—C9—C13 | 80.10 (13) | C17—Fe1—C14—C15 | 81.52 (13) |
C14—Fe1—C9—C13 | 122.32 (12) | C12—Fe1—C14—C15 | −42.4 (3) |
C16—Fe1—C9—C13 | 47.0 (2) | C18—Fe1—C14—C15 | 119.08 (18) |
C10—Fe1—C9—C13 | −118.25 (17) | C15—Fe1—C14—C18 | −119.08 (18) |
C11—Fe1—C9—C13 | −81.01 (13) | C13—Fe1—C14—C18 | 164.98 (12) |
C17—Fe1—C9—C13 | −164.5 (2) | C16—Fe1—C14—C18 | −81.33 (14) |
C12—Fe1—C9—C13 | −37.38 (12) | C10—Fe1—C14—C18 | 80.80 (15) |
C18—Fe1—C9—C13 | 163.62 (12) | C11—Fe1—C14—C18 | 46.5 (3) |
C15—Fe1—C9—C10 | −161.65 (12) | C9—Fe1—C14—C18 | 123.14 (13) |
C13—Fe1—C9—C10 | 118.25 (17) | C17—Fe1—C14—C18 | −37.57 (13) |
C14—Fe1—C9—C10 | −119.43 (12) | C12—Fe1—C14—C18 | −161.5 (2) |
C16—Fe1—C9—C10 | 165.21 (18) | C18—C14—C15—C16 | 0.0 (2) |
C11—Fe1—C9—C10 | 37.25 (12) | Fe1—C14—C15—C16 | −59.70 (13) |
C17—Fe1—C9—C10 | −46.3 (3) | C18—C14—C15—Fe1 | 59.73 (14) |
C12—Fe1—C9—C10 | 80.87 (13) | C13—Fe1—C15—C14 | 122.81 (12) |
C18—Fe1—C9—C10 | −78.13 (14) | C16—Fe1—C15—C14 | −119.07 (17) |
C15—Fe1—C9—C8 | −40.29 (19) | C10—Fe1—C15—C14 | 48.2 (2) |
C13—Fe1—C9—C8 | −120.4 (2) | C11—Fe1—C15—C14 | −163.6 (2) |
C14—Fe1—C9—C8 | 1.93 (18) | C9—Fe1—C15—C14 | 80.45 (13) |
C16—Fe1—C9—C8 | −73.4 (3) | C17—Fe1—C15—C14 | −81.39 (14) |
C10—Fe1—C9—C8 | 121.4 (2) | C12—Fe1—C15—C14 | 164.27 (12) |
C11—Fe1—C9—C8 | 158.60 (19) | C18—Fe1—C15—C14 | −37.69 (13) |
C17—Fe1—C9—C8 | 75.1 (3) | C13—Fe1—C15—C16 | −118.13 (12) |
C12—Fe1—C9—C8 | −157.77 (19) | C14—Fe1—C15—C16 | 119.07 (17) |
C18—Fe1—C9—C8 | 43.2 (2) | C10—Fe1—C15—C16 | 167.26 (18) |
C13—C9—C10—C11 | 0.4 (2) | C11—Fe1—C15—C16 | −44.6 (3) |
C8—C9—C10—C11 | 176.86 (17) | C9—Fe1—C15—C16 | −160.48 (11) |
Fe1—C9—C10—C11 | −59.06 (13) | C17—Fe1—C15—C16 | 37.68 (12) |
C13—C9—C10—Fe1 | 59.44 (12) | C12—Fe1—C15—C16 | −76.66 (14) |
C8—C9—C10—Fe1 | −124.09 (18) | C18—Fe1—C15—C16 | 81.38 (13) |
C15—Fe1—C10—C11 | 164.22 (18) | C14—C15—C16—C17 | 0.0 (2) |
C13—Fe1—C10—C11 | 81.63 (13) | Fe1—C15—C16—C17 | −59.65 (14) |
C14—Fe1—C10—C11 | −160.82 (12) | C14—C15—C16—Fe1 | 59.70 (13) |
C16—Fe1—C10—C11 | −41.9 (3) | C15—Fe1—C16—C17 | 119.07 (18) |
C9—Fe1—C10—C11 | 119.91 (17) | C13—Fe1—C16—C17 | −161.01 (13) |
C17—Fe1—C10—C11 | −76.47 (15) | C14—Fe1—C16—C17 | 81.34 (14) |
C12—Fe1—C10—C11 | 37.75 (12) | C10—Fe1—C16—C17 | −45.8 (3) |
C18—Fe1—C10—C11 | −118.30 (13) | C11—Fe1—C16—C17 | −77.45 (16) |
C15—Fe1—C10—C9 | 44.3 (2) | C9—Fe1—C16—C17 | 165.07 (17) |
C13—Fe1—C10—C9 | −38.29 (11) | C12—Fe1—C16—C17 | −118.82 (14) |
C14—Fe1—C10—C9 | 79.26 (14) | C18—Fe1—C16—C17 | 37.57 (13) |
C16—Fe1—C10—C9 | −161.8 (2) | C13—Fe1—C16—C15 | 79.92 (13) |
C11—Fe1—C10—C9 | −119.91 (17) | C14—Fe1—C16—C15 | −37.73 (11) |
C17—Fe1—C10—C9 | 163.62 (12) | C10—Fe1—C16—C15 | −164.8 (2) |
C12—Fe1—C10—C9 | −82.16 (12) | C11—Fe1—C16—C15 | 163.48 (12) |
C18—Fe1—C10—C9 | 121.78 (12) | C9—Fe1—C16—C15 | 46.0 (2) |
C9—C10—C11—C12 | −0.6 (2) | C17—Fe1—C16—C15 | −119.07 (18) |
Fe1—C10—C11—C12 | −59.69 (14) | C12—Fe1—C16—C15 | 122.11 (12) |
C9—C10—C11—Fe1 | 59.07 (13) | C18—Fe1—C16—C15 | −81.50 (13) |
C15—Fe1—C11—C12 | −42.8 (3) | C15—C16—C17—C18 | −0.1 (2) |
C13—Fe1—C11—C12 | 37.56 (12) | Fe1—C16—C17—C18 | −59.50 (14) |
C14—Fe1—C11—C12 | 166.03 (19) | C15—C16—C17—Fe1 | 59.40 (13) |
C16—Fe1—C11—C12 | −76.24 (14) | C15—Fe1—C17—C16 | −37.78 (13) |
C10—Fe1—C11—C12 | 118.98 (17) | C13—Fe1—C17—C16 | 44.9 (3) |
C9—Fe1—C11—C12 | 81.54 (12) | C14—Fe1—C17—C16 | −81.62 (14) |
C17—Fe1—C11—C12 | −118.00 (13) | C10—Fe1—C17—C16 | 163.48 (12) |
C18—Fe1—C11—C12 | −160.12 (12) | C11—Fe1—C17—C16 | 121.76 (14) |
C15—Fe1—C11—C10 | −161.8 (2) | C9—Fe1—C17—C16 | −161.4 (2) |
C13—Fe1—C11—C10 | −81.42 (12) | C12—Fe1—C17—C16 | 79.39 (15) |
C14—Fe1—C11—C10 | 47.1 (3) | C18—Fe1—C17—C16 | −119.25 (19) |
C16—Fe1—C11—C10 | 164.78 (11) | C15—Fe1—C17—C18 | 81.47 (13) |
C9—Fe1—C11—C10 | −37.44 (11) | C13—Fe1—C17—C18 | 164.10 (18) |
C17—Fe1—C11—C10 | 123.02 (13) | C14—Fe1—C17—C18 | 37.63 (12) |
C12—Fe1—C11—C10 | −118.98 (17) | C16—Fe1—C17—C18 | 119.25 (19) |
C18—Fe1—C11—C10 | 80.90 (14) | C10—Fe1—C17—C18 | −77.28 (15) |
C10—C11—C12—C13 | 0.6 (2) | C11—Fe1—C17—C18 | −119.00 (13) |
Fe1—C11—C12—C13 | −58.94 (13) | C9—Fe1—C17—C18 | −42.1 (3) |
C10—C11—C12—Fe1 | 59.56 (14) | C12—Fe1—C17—C18 | −161.37 (12) |
C15—Fe1—C12—C11 | 164.08 (12) | C16—C17—C18—C14 | 0.1 (2) |
C13—Fe1—C12—C11 | −119.48 (17) | Fe1—C17—C18—C14 | −59.21 (14) |
C14—Fe1—C12—C11 | −164.1 (2) | C16—C17—C18—Fe1 | 59.33 (14) |
C16—Fe1—C12—C11 | 122.56 (12) | C15—C14—C18—C17 | −0.1 (2) |
C10—Fe1—C12—C11 | −37.84 (12) | Fe1—C14—C18—C17 | 59.36 (14) |
C9—Fe1—C12—C11 | −81.91 (12) | C15—C14—C18—Fe1 | −59.46 (13) |
C17—Fe1—C12—C11 | 80.64 (14) | C15—Fe1—C18—C17 | −81.51 (13) |
C18—Fe1—C12—C11 | 48.2 (3) | C13—Fe1—C18—C17 | −160.6 (2) |
C15—Fe1—C12—C13 | −76.45 (14) | C14—Fe1—C18—C17 | −119.25 (18) |
C14—Fe1—C12—C13 | −44.6 (3) | C16—Fe1—C18—C17 | −37.62 (13) |
C16—Fe1—C12—C13 | −117.96 (12) | C10—Fe1—C18—C17 | 122.44 (13) |
C10—Fe1—C12—C13 | 81.64 (12) | C11—Fe1—C18—C17 | 79.75 (14) |
C11—Fe1—C12—C13 | 119.48 (17) | C9—Fe1—C18—C17 | 164.89 (12) |
C9—Fe1—C12—C13 | 37.57 (11) | C12—Fe1—C18—C17 | 44.8 (3) |
C17—Fe1—C12—C13 | −159.88 (12) | C15—Fe1—C18—C14 | 37.74 (13) |
C18—Fe1—C12—C13 | 167.65 (19) | C13—Fe1—C18—C14 | −41.3 (3) |
C11—C12—C13—C9 | −0.4 (2) | C16—Fe1—C18—C14 | 81.62 (13) |
Fe1—C12—C13—C9 | −59.47 (13) | C10—Fe1—C18—C14 | −118.32 (13) |
C11—C12—C13—Fe1 | 59.08 (14) | C11—Fe1—C18—C14 | −161.00 (12) |
C10—C9—C13—C12 | 0.0 (2) | C9—Fe1—C18—C14 | −75.86 (14) |
C8—C9—C13—C12 | −176.50 (17) | C17—Fe1—C18—C14 | 119.25 (18) |
Fe1—C9—C13—C12 | 59.54 (13) | C12—Fe1—C18—C14 | 164.06 (19) |