Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805021835/xu6027sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805021835/xu6027Isup2.hkl |
CCDC reference: 282708
Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: SHELXTL.
[Fe(C5H5)(C13H13ClN)] | Z = 2 |
Mr = 339.63 | F(000) = 352 |
Triclinic, P1 | Dx = 1.496 Mg m−3 |
Hall symbol: -P 1 | Melting point: 356 K |
a = 8.243 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.250 (3) Å | Cell parameters from 3182 reflections |
c = 10.655 (3) Å | θ = 2.2–27.7° |
α = 116.643 (3)° | µ = 1.17 mm−1 |
β = 92.658 (3)° | T = 293 K |
γ = 106.771 (3)° | Block, yellow |
V = 754.0 (4) Å3 | 0.38 × 0.30 × 0.22 mm |
Bruker APEX-II CCD area-detector diffractometer | 2629 independent reflections |
Radiation source: fine-focus sealed tube | 2421 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.012 |
φ and ω scans | θmax = 25.0°, θmin = 2.2° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −9→9 |
Tmin = 0.501, Tmax = 0.773 | k = −10→12 |
4102 measured reflections | l = −12→10 |
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)] = 0.026 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.072 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0419P)2 + 0.2296P] where P = (Fo2 + 2Fc2)/3 |
2629 reflections | (Δ/σ)max = 0.001 |
191 parameters | Δρmax = 0.35 e Å−3 |
0 restraints | Δρmin = −0.35 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 | ||
Fe1 | 0.12214 (3) | 0.31435 (3) | 0.23723 (3) | 0.03497 (11) | |
Cl1 | 0.30560 (8) | 1.38747 (6) | 0.78932 (6) | 0.06204 (17) | |
N1 | 0.2332 (2) | 0.82188 (17) | 0.45326 (16) | 0.0403 (4) | |
C1 | 0.2899 (3) | 0.3222 (2) | 0.3894 (2) | 0.0482 (5) | |
H1 | 0.3586 | 0.4155 | 0.4786 | 0.058* | |
C2 | 0.3413 (3) | 0.2655 (3) | 0.2557 (3) | 0.0560 (5) | |
H2 | 0.4521 | 0.3115 | 0.2358 | 0.067* | |
C3 | 0.2047 (3) | 0.1284 (3) | 0.1565 (2) | 0.0568 (6) | |
H3 | 0.2037 | 0.0634 | 0.0552 | 0.068* | |
C4 | 0.0702 (3) | 0.1022 (2) | 0.2281 (2) | 0.0493 (5) | |
H4 | −0.0410 | 0.0160 | 0.1853 | 0.059* | |
C5 | 0.1224 (3) | 0.2213 (2) | 0.3719 (2) | 0.0450 (4) | |
H5 | 0.0541 | 0.2326 | 0.4465 | 0.054* | |
C6 | −0.0268 (2) | 0.4515 (2) | 0.2975 (2) | 0.0430 (4) | |
H6 | −0.0809 | 0.4760 | 0.3814 | 0.052* | |
C7 | −0.1022 (3) | 0.3238 (2) | 0.1583 (3) | 0.0568 (6) | |
H7 | −0.2174 | 0.2444 | 0.1288 | 0.068* | |
C8 | 0.0180 (4) | 0.3311 (3) | 0.0694 (2) | 0.0619 (7) | |
H8 | 0.0008 | 0.2569 | −0.0325 | 0.074* | |
C9 | 0.1684 (3) | 0.4621 (2) | 0.1526 (2) | 0.0498 (5) | |
H9 | 0.2730 | 0.4949 | 0.1185 | 0.060* | |
C10 | 0.1417 (2) | 0.5376 (2) | 0.29490 (19) | 0.0376 (4) | |
C11 | 0.2685 (2) | 0.6794 (2) | 0.4203 (2) | 0.0421 (4) | |
H11A | 0.2663 | 0.6643 | 0.5039 | 0.051* | |
H11B | 0.3840 | 0.6915 | 0.4005 | 0.051* | |
C12 | 0.1766 (3) | 0.8424 (2) | 0.3348 (2) | 0.0490 (5) | |
H12A | 0.0776 | 0.8747 | 0.3503 | 0.074* | |
H12B | 0.1460 | 0.7458 | 0.2471 | 0.074* | |
H12C | 0.2685 | 0.9204 | 0.3284 | 0.074* | |
C13 | 0.3026 (2) | 0.9498 (2) | 0.58789 (19) | 0.0356 (4) | |
C14 | 0.3931 (3) | 0.9450 (2) | 0.6996 (2) | 0.0476 (5) | |
H14 | 0.4140 | 0.8545 | 0.6822 | 0.057* | |
C15 | 0.4515 (3) | 1.0727 (3) | 0.8351 (2) | 0.0553 (5) | |
H15 | 0.5101 | 1.0657 | 0.9073 | 0.066* | |
C16 | 0.4259 (3) | 1.2104 (3) | 0.8667 (2) | 0.0527 (5) | |
H16 | 0.4647 | 1.2955 | 0.9585 | 0.063* | |
C17 | 0.3409 (2) | 1.2162 (2) | 0.7569 (2) | 0.0424 (4) | |
C18 | 0.2800 (2) | 1.0913 (2) | 0.6193 (2) | 0.0386 (4) | |
H18 | 0.2243 | 1.1011 | 0.5477 | 0.046* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.04357 (17) | 0.02689 (16) | 0.03241 (16) | 0.01378 (11) | 0.00308 (11) | 0.01212 (12) |
Cl1 | 0.0814 (4) | 0.0327 (3) | 0.0595 (3) | 0.0217 (3) | 0.0096 (3) | 0.0113 (2) |
N1 | 0.0554 (9) | 0.0279 (8) | 0.0352 (8) | 0.0152 (7) | 0.0034 (7) | 0.0132 (6) |
C1 | 0.0500 (11) | 0.0430 (11) | 0.0483 (11) | 0.0176 (9) | −0.0039 (9) | 0.0199 (9) |
C2 | 0.0499 (12) | 0.0661 (14) | 0.0755 (15) | 0.0327 (11) | 0.0210 (11) | 0.0449 (13) |
C3 | 0.0846 (16) | 0.0494 (13) | 0.0455 (12) | 0.0441 (12) | 0.0134 (11) | 0.0180 (10) |
C4 | 0.0613 (12) | 0.0297 (10) | 0.0540 (12) | 0.0155 (9) | 0.0008 (10) | 0.0191 (9) |
C5 | 0.0554 (11) | 0.0420 (11) | 0.0464 (11) | 0.0216 (9) | 0.0095 (9) | 0.0256 (9) |
C6 | 0.0437 (10) | 0.0369 (10) | 0.0518 (11) | 0.0181 (8) | 0.0065 (8) | 0.0220 (9) |
C7 | 0.0540 (12) | 0.0377 (11) | 0.0658 (14) | 0.0125 (9) | −0.0160 (10) | 0.0192 (10) |
C8 | 0.1041 (19) | 0.0398 (12) | 0.0358 (11) | 0.0308 (12) | −0.0081 (11) | 0.0119 (9) |
C9 | 0.0778 (14) | 0.0411 (11) | 0.0403 (11) | 0.0275 (10) | 0.0175 (10) | 0.0229 (9) |
C10 | 0.0500 (10) | 0.0291 (9) | 0.0365 (9) | 0.0168 (8) | 0.0070 (8) | 0.0163 (8) |
C11 | 0.0485 (10) | 0.0301 (10) | 0.0446 (10) | 0.0152 (8) | 0.0047 (8) | 0.0150 (8) |
C12 | 0.0703 (13) | 0.0351 (10) | 0.0396 (10) | 0.0176 (9) | 0.0034 (9) | 0.0174 (9) |
C13 | 0.0363 (9) | 0.0301 (9) | 0.0372 (9) | 0.0094 (7) | 0.0084 (7) | 0.0147 (8) |
C14 | 0.0557 (12) | 0.0389 (11) | 0.0452 (11) | 0.0179 (9) | 0.0024 (9) | 0.0177 (9) |
C15 | 0.0638 (13) | 0.0510 (13) | 0.0420 (11) | 0.0149 (10) | −0.0044 (9) | 0.0194 (10) |
C16 | 0.0602 (13) | 0.0421 (11) | 0.0365 (10) | 0.0098 (9) | 0.0038 (9) | 0.0087 (9) |
C17 | 0.0448 (10) | 0.0293 (9) | 0.0465 (11) | 0.0103 (8) | 0.0127 (8) | 0.0141 (8) |
C18 | 0.0424 (10) | 0.0313 (9) | 0.0385 (10) | 0.0109 (8) | 0.0064 (7) | 0.0153 (8) |
Fe1—C2 | 2.032 (2) | C6—C10 | 1.424 (3) |
Fe1—C10 | 2.0383 (19) | C6—H6 | 0.9800 |
Fe1—C6 | 2.0386 (19) | C7—C8 | 1.411 (4) |
Fe1—C1 | 2.0390 (19) | C7—H7 | 0.9800 |
Fe1—C7 | 2.042 (2) | C8—C9 | 1.413 (3) |
Fe1—C3 | 2.042 (2) | C8—H8 | 0.9800 |
Fe1—C9 | 2.043 (2) | C9—C10 | 1.422 (3) |
Fe1—C8 | 2.045 (2) | C9—H9 | 0.9800 |
Fe1—C4 | 2.048 (2) | C10—C11 | 1.498 (3) |
Fe1—C5 | 2.048 (2) | C11—H11A | 0.9700 |
Cl1—C17 | 1.746 (2) | C11—H11B | 0.9700 |
N1—C11 | 1.462 (2) | C12—H12A | 0.9600 |
N1—C12 | 1.448 (2) | C12—H12B | 0.9600 |
N1—C13 | 1.381 (2) | C12—H12C | 0.9600 |
C1—C5 | 1.410 (3) | C13—C14 | 1.403 (3) |
C1—C2 | 1.415 (3) | C13—C18 | 1.406 (3) |
C1—H1 | 0.9800 | C14—C15 | 1.380 (3) |
C2—C3 | 1.416 (3) | C14—H14 | 0.9300 |
C2—H2 | 0.9800 | C15—C16 | 1.379 (3) |
C3—C4 | 1.405 (3) | C15—H15 | 0.9300 |
C3—H3 | 0.9800 | C16—C17 | 1.368 (3) |
C4—C5 | 1.407 (3) | C16—H16 | 0.9300 |
C4—H4 | 0.9800 | C17—C18 | 1.385 (3) |
C5—H5 | 0.9800 | C18—H18 | 0.9300 |
C6—C7 | 1.416 (3) | ||
C2—Fe1—C10 | 119.18 (9) | C3—C4—H4 | 125.9 |
C2—Fe1—C6 | 154.15 (10) | C5—C4—H4 | 125.9 |
C10—Fe1—C6 | 40.89 (8) | Fe1—C4—H4 | 125.9 |
C2—Fe1—C1 | 40.69 (9) | C4—C5—C1 | 108.05 (19) |
C10—Fe1—C1 | 107.49 (8) | C4—C5—Fe1 | 69.89 (11) |
C6—Fe1—C1 | 119.85 (8) | C1—C5—Fe1 | 69.48 (11) |
C2—Fe1—C7 | 163.68 (10) | C4—C5—H5 | 126.0 |
C10—Fe1—C7 | 68.61 (8) | C1—C5—H5 | 126.0 |
C6—Fe1—C7 | 40.60 (8) | Fe1—C5—H5 | 126.0 |
C1—Fe1—C7 | 154.43 (10) | C7—C6—C10 | 108.14 (19) |
C2—Fe1—C3 | 40.66 (10) | C7—C6—Fe1 | 69.82 (12) |
C10—Fe1—C3 | 154.15 (10) | C10—C6—Fe1 | 69.54 (10) |
C6—Fe1—C3 | 163.80 (9) | C7—C6—H6 | 125.9 |
C1—Fe1—C3 | 68.03 (9) | C10—C6—H6 | 125.9 |
C7—Fe1—C3 | 126.58 (9) | Fe1—C6—H6 | 125.9 |
C2—Fe1—C9 | 107.46 (9) | C8—C7—C6 | 107.9 (2) |
C10—Fe1—C9 | 40.77 (8) | C8—C7—Fe1 | 69.90 (13) |
C6—Fe1—C9 | 68.41 (9) | C6—C7—Fe1 | 69.58 (11) |
C1—Fe1—C9 | 126.27 (9) | C8—C7—H7 | 126.0 |
C7—Fe1—C9 | 68.25 (10) | C6—C7—H7 | 126.0 |
C3—Fe1—C9 | 119.95 (9) | Fe1—C7—H7 | 126.0 |
C2—Fe1—C8 | 126.30 (10) | C7—C8—C9 | 108.48 (19) |
C10—Fe1—C8 | 68.34 (8) | C7—C8—Fe1 | 69.69 (12) |
C6—Fe1—C8 | 68.08 (9) | C9—C8—Fe1 | 69.73 (12) |
C1—Fe1—C8 | 163.68 (11) | C7—C8—H8 | 125.8 |
C7—Fe1—C8 | 40.41 (10) | C9—C8—H8 | 125.8 |
C3—Fe1—C8 | 108.40 (9) | Fe1—C8—H8 | 125.8 |
C9—Fe1—C8 | 40.43 (10) | C8—C9—C10 | 108.0 (2) |
C2—Fe1—C4 | 68.12 (9) | C8—C9—Fe1 | 69.84 (12) |
C10—Fe1—C4 | 163.86 (8) | C10—C9—Fe1 | 69.43 (11) |
C6—Fe1—C4 | 126.72 (9) | C8—C9—H9 | 126.0 |
C1—Fe1—C4 | 67.83 (8) | C10—C9—H9 | 126.0 |
C7—Fe1—C4 | 108.51 (9) | Fe1—C9—H9 | 126.0 |
C3—Fe1—C4 | 40.19 (9) | C9—C10—C6 | 107.46 (18) |
C9—Fe1—C4 | 154.39 (9) | C9—C10—C11 | 126.55 (19) |
C8—Fe1—C4 | 120.49 (9) | C6—C10—C11 | 125.98 (17) |
C2—Fe1—C5 | 68.18 (9) | C9—C10—Fe1 | 69.80 (11) |
C10—Fe1—C5 | 126.39 (8) | C6—C10—Fe1 | 69.57 (10) |
C6—Fe1—C5 | 108.26 (8) | C11—C10—Fe1 | 124.89 (13) |
C1—Fe1—C5 | 40.37 (8) | N1—C11—C10 | 113.31 (15) |
C7—Fe1—C5 | 120.33 (10) | N1—C11—H11A | 108.9 |
C3—Fe1—C5 | 67.70 (9) | C10—C11—H11A | 108.9 |
C9—Fe1—C5 | 163.74 (9) | N1—C11—H11B | 108.9 |
C8—Fe1—C5 | 154.65 (10) | C10—C11—H11B | 108.9 |
C4—Fe1—C5 | 40.20 (8) | H11A—C11—H11B | 107.7 |
C11—N1—C12 | 118.18 (15) | N1—C12—H12A | 109.5 |
C11—N1—C13 | 119.21 (15) | N1—C12—H12B | 109.5 |
C12—N1—C13 | 119.61 (15) | H12A—C12—H12B | 109.5 |
C5—C1—C2 | 108.06 (19) | N1—C12—H12C | 109.5 |
C5—C1—Fe1 | 70.15 (11) | H12A—C12—H12C | 109.5 |
C2—C1—Fe1 | 69.41 (12) | H12B—C12—H12C | 109.5 |
C5—C1—H1 | 126.0 | N1—C13—C14 | 122.67 (16) |
C2—C1—H1 | 126.0 | N1—C13—C18 | 120.31 (16) |
Fe1—C1—H1 | 126.0 | C14—C13—C18 | 117.00 (17) |
C1—C2—C3 | 107.5 (2) | C15—C14—C13 | 120.93 (18) |
C1—C2—Fe1 | 69.90 (11) | C15—C14—H14 | 119.5 |
C3—C2—Fe1 | 70.03 (12) | C13—C14—H14 | 119.5 |
C1—C2—H2 | 126.3 | C16—C15—C14 | 122.05 (19) |
C3—C2—H2 | 126.3 | C16—C15—H15 | 119.0 |
Fe1—C2—H2 | 126.3 | C14—C15—H15 | 119.0 |
C4—C3—C2 | 108.21 (19) | C17—C16—C15 | 117.02 (18) |
C4—C3—Fe1 | 70.12 (11) | C17—C16—H16 | 121.5 |
C2—C3—Fe1 | 69.31 (12) | C15—C16—H16 | 121.5 |
C4—C3—H3 | 125.9 | C16—C17—C18 | 123.07 (18) |
C2—C3—H3 | 125.9 | C16—C17—Cl1 | 119.38 (15) |
Fe1—C3—H3 | 125.9 | C18—C17—Cl1 | 117.55 (16) |
C3—C4—C5 | 108.18 (19) | C17—C18—C13 | 119.90 (18) |
C3—C4—Fe1 | 69.69 (12) | C17—C18—H18 | 120.1 |
C5—C4—Fe1 | 69.91 (11) | C13—C18—H18 | 120.1 |
C2—Fe1—C1—C5 | −119.19 (18) | C10—C6—C7—C8 | −0.4 (2) |
C10—Fe1—C1—C5 | 126.13 (12) | Fe1—C6—C7—C8 | −59.62 (14) |
C6—Fe1—C1—C5 | 83.27 (14) | C10—C6—C7—Fe1 | 59.19 (13) |
C7—Fe1—C1—C5 | 49.3 (2) | C2—Fe1—C7—C8 | −40.4 (4) |
C3—Fe1—C1—C5 | −80.96 (14) | C10—Fe1—C7—C8 | 81.29 (13) |
C9—Fe1—C1—C5 | 167.23 (11) | C6—Fe1—C7—C8 | 119.06 (18) |
C8—Fe1—C1—C5 | −161.4 (3) | C1—Fe1—C7—C8 | 167.23 (17) |
C4—Fe1—C1—C5 | −37.43 (12) | C3—Fe1—C7—C8 | −74.61 (16) |
C10—Fe1—C1—C2 | −114.68 (14) | C9—Fe1—C7—C8 | 37.30 (13) |
C6—Fe1—C1—C2 | −157.54 (13) | C4—Fe1—C7—C8 | −115.61 (13) |
C7—Fe1—C1—C2 | 168.47 (18) | C5—Fe1—C7—C8 | −158.11 (12) |
C3—Fe1—C1—C2 | 38.23 (14) | C2—Fe1—C7—C6 | −159.5 (3) |
C9—Fe1—C1—C2 | −73.58 (16) | C10—Fe1—C7—C6 | −37.77 (12) |
C8—Fe1—C1—C2 | −42.2 (3) | C1—Fe1—C7—C6 | 48.2 (2) |
C4—Fe1—C1—C2 | 81.76 (15) | C3—Fe1—C7—C6 | 166.33 (12) |
C5—Fe1—C1—C2 | 119.19 (18) | C9—Fe1—C7—C6 | −81.76 (13) |
C5—C1—C2—C3 | −0.5 (2) | C8—Fe1—C7—C6 | −119.06 (18) |
Fe1—C1—C2—C3 | −60.23 (14) | C4—Fe1—C7—C6 | 125.33 (13) |
C5—C1—C2—Fe1 | 59.74 (14) | C5—Fe1—C7—C6 | 82.83 (14) |
C10—Fe1—C2—C1 | 83.03 (14) | C6—C7—C8—C9 | 0.3 (2) |
C6—Fe1—C2—C1 | 49.5 (2) | Fe1—C7—C8—C9 | −59.12 (15) |
C7—Fe1—C2—C1 | −162.1 (3) | C6—C7—C8—Fe1 | 59.42 (14) |
C3—Fe1—C2—C1 | −118.25 (19) | C2—Fe1—C8—C7 | 166.94 (13) |
C9—Fe1—C2—C1 | 125.84 (13) | C10—Fe1—C8—C7 | −82.01 (13) |
C8—Fe1—C2—C1 | 166.46 (13) | C6—Fe1—C8—C7 | −37.82 (12) |
C4—Fe1—C2—C1 | −80.99 (14) | C1—Fe1—C8—C7 | −160.2 (3) |
C5—Fe1—C2—C1 | −37.52 (13) | C3—Fe1—C8—C7 | 125.32 (14) |
C10—Fe1—C2—C3 | −158.72 (13) | C9—Fe1—C8—C7 | −119.80 (18) |
C6—Fe1—C2—C3 | 167.72 (17) | C4—Fe1—C8—C7 | 82.91 (15) |
C1—Fe1—C2—C3 | 118.25 (19) | C5—Fe1—C8—C7 | 48.7 (2) |
C7—Fe1—C2—C3 | −43.9 (4) | C2—Fe1—C8—C9 | −73.26 (16) |
C9—Fe1—C2—C3 | −115.91 (14) | C10—Fe1—C8—C9 | 37.79 (13) |
C8—Fe1—C2—C3 | −75.29 (17) | C6—Fe1—C8—C9 | 81.98 (14) |
C4—Fe1—C2—C3 | 37.27 (14) | C1—Fe1—C8—C9 | −40.4 (4) |
C5—Fe1—C2—C3 | 80.73 (14) | C7—Fe1—C8—C9 | 119.80 (18) |
C1—C2—C3—C4 | 0.6 (2) | C3—Fe1—C8—C9 | −114.88 (14) |
Fe1—C2—C3—C4 | −59.53 (14) | C4—Fe1—C8—C9 | −157.29 (13) |
C1—C2—C3—Fe1 | 60.15 (14) | C5—Fe1—C8—C9 | 168.52 (17) |
C2—Fe1—C3—C4 | 119.46 (19) | C7—C8—C9—C10 | 0.0 (2) |
C10—Fe1—C3—C4 | 166.08 (16) | Fe1—C8—C9—C10 | −59.14 (14) |
C6—Fe1—C3—C4 | −41.1 (3) | C7—C8—C9—Fe1 | 59.09 (15) |
C1—Fe1—C3—C4 | 81.20 (14) | C2—Fe1—C9—C8 | 125.99 (15) |
C7—Fe1—C3—C4 | −74.58 (16) | C10—Fe1—C9—C8 | −119.3 (2) |
C9—Fe1—C3—C4 | −158.54 (13) | C6—Fe1—C9—C8 | −81.12 (15) |
C8—Fe1—C3—C4 | −115.78 (14) | C1—Fe1—C9—C8 | 166.96 (14) |
C5—Fe1—C3—C4 | 37.47 (12) | C7—Fe1—C9—C8 | −37.27 (14) |
C10—Fe1—C3—C2 | 46.6 (2) | C3—Fe1—C9—C8 | 83.43 (17) |
C6—Fe1—C3—C2 | −160.6 (3) | C4—Fe1—C9—C8 | 50.3 (3) |
C1—Fe1—C3—C2 | −38.26 (13) | C5—Fe1—C9—C8 | −162.3 (3) |
C7—Fe1—C3—C2 | 165.96 (14) | C2—Fe1—C9—C10 | −114.70 (13) |
C9—Fe1—C3—C2 | 81.99 (16) | C6—Fe1—C9—C10 | 38.19 (12) |
C8—Fe1—C3—C2 | 124.76 (15) | C1—Fe1—C9—C10 | −73.74 (15) |
C4—Fe1—C3—C2 | −119.46 (19) | C7—Fe1—C9—C10 | 82.03 (13) |
C5—Fe1—C3—C2 | −82.00 (14) | C3—Fe1—C9—C10 | −157.26 (13) |
C2—C3—C4—C5 | −0.5 (2) | C8—Fe1—C9—C10 | 119.3 (2) |
Fe1—C3—C4—C5 | −59.53 (13) | C4—Fe1—C9—C10 | 169.63 (17) |
C2—C3—C4—Fe1 | 59.03 (14) | C5—Fe1—C9—C10 | −43.0 (3) |
C2—Fe1—C4—C3 | −37.68 (14) | C8—C9—C10—C6 | −0.2 (2) |
C10—Fe1—C4—C3 | −157.8 (3) | Fe1—C9—C10—C6 | −59.62 (12) |
C6—Fe1—C4—C3 | 166.76 (12) | C8—C9—C10—C11 | 178.48 (18) |
C1—Fe1—C4—C3 | −81.74 (14) | Fe1—C9—C10—C11 | 119.08 (18) |
C7—Fe1—C4—C3 | 125.29 (14) | C8—C9—C10—Fe1 | 59.40 (14) |
C9—Fe1—C4—C3 | 47.2 (3) | C7—C6—C10—C9 | 0.4 (2) |
C8—Fe1—C4—C3 | 82.57 (16) | Fe1—C6—C10—C9 | 59.77 (13) |
C5—Fe1—C4—C3 | −119.32 (18) | C7—C6—C10—C11 | −178.30 (17) |
C2—Fe1—C4—C5 | 81.63 (14) | Fe1—C6—C10—C11 | −118.94 (18) |
C10—Fe1—C4—C5 | −38.5 (3) | C7—C6—C10—Fe1 | −59.36 (13) |
C6—Fe1—C4—C5 | −73.92 (15) | C2—Fe1—C10—C9 | 83.03 (15) |
C1—Fe1—C4—C5 | 37.58 (12) | C6—Fe1—C10—C9 | −118.57 (17) |
C7—Fe1—C4—C5 | −115.40 (14) | C1—Fe1—C10—C9 | 125.76 (14) |
C3—Fe1—C4—C5 | 119.32 (18) | C7—Fe1—C10—C9 | −81.07 (15) |
C9—Fe1—C4—C5 | 166.48 (19) | C3—Fe1—C10—C9 | 50.2 (2) |
C8—Fe1—C4—C5 | −158.11 (14) | C8—Fe1—C10—C9 | −37.48 (15) |
C3—C4—C5—C1 | 0.2 (2) | C4—Fe1—C10—C9 | −163.8 (3) |
Fe1—C4—C5—C1 | −59.20 (13) | C5—Fe1—C10—C9 | 166.29 (13) |
C3—C4—C5—Fe1 | 59.39 (14) | C2—Fe1—C10—C6 | −158.39 (12) |
C2—C1—C5—C4 | 0.2 (2) | C1—Fe1—C10—C6 | −115.67 (12) |
Fe1—C1—C5—C4 | 59.46 (13) | C7—Fe1—C10—C6 | 37.50 (13) |
C2—C1—C5—Fe1 | −59.27 (14) | C3—Fe1—C10—C6 | 168.76 (17) |
C2—Fe1—C5—C4 | −81.49 (14) | C9—Fe1—C10—C6 | 118.57 (17) |
C10—Fe1—C5—C4 | 167.58 (12) | C8—Fe1—C10—C6 | 81.09 (14) |
C6—Fe1—C5—C4 | 125.80 (13) | C4—Fe1—C10—C6 | −45.2 (3) |
C1—Fe1—C5—C4 | −119.30 (18) | C5—Fe1—C10—C6 | −75.14 (14) |
C7—Fe1—C5—C4 | 82.96 (14) | C2—Fe1—C10—C11 | −38.10 (19) |
C3—Fe1—C5—C4 | −37.46 (13) | C6—Fe1—C10—C11 | 120.3 (2) |
C9—Fe1—C5—C4 | −158.9 (3) | C1—Fe1—C10—C11 | 4.63 (18) |
C8—Fe1—C5—C4 | 48.6 (3) | C7—Fe1—C10—C11 | 157.80 (19) |
C2—Fe1—C5—C1 | 37.81 (13) | C3—Fe1—C10—C11 | −70.9 (3) |
C10—Fe1—C5—C1 | −73.12 (14) | C9—Fe1—C10—C11 | −121.1 (2) |
C6—Fe1—C5—C1 | −114.90 (13) | C8—Fe1—C10—C11 | −158.6 (2) |
C7—Fe1—C5—C1 | −157.73 (12) | C4—Fe1—C10—C11 | 75.1 (3) |
C3—Fe1—C5—C1 | 81.84 (14) | C5—Fe1—C10—C11 | 45.2 (2) |
C9—Fe1—C5—C1 | −39.5 (3) | C13—N1—C11—C10 | 160.19 (16) |
C8—Fe1—C5—C1 | 167.91 (19) | C12—N1—C11—C10 | −39.5 (2) |
C4—Fe1—C5—C1 | 119.30 (18) | C9—C10—C11—N1 | 101.4 (2) |
C2—Fe1—C6—C7 | 166.92 (19) | C6—C10—C11—N1 | −80.2 (2) |
C10—Fe1—C6—C7 | 119.41 (18) | Fe1—C10—C11—N1 | −169.03 (13) |
C1—Fe1—C6—C7 | −158.24 (14) | C12—N1—C13—C14 | −166.08 (19) |
C3—Fe1—C6—C7 | −42.9 (3) | C11—N1—C13—C14 | −6.0 (3) |
C9—Fe1—C6—C7 | 81.33 (15) | C12—N1—C13—C18 | 15.8 (3) |
C8—Fe1—C6—C7 | 37.65 (14) | C11—N1—C13—C18 | 175.84 (17) |
C4—Fe1—C6—C7 | −74.83 (16) | N1—C13—C14—C15 | −176.10 (19) |
C5—Fe1—C6—C7 | −115.61 (14) | C18—C13—C14—C15 | 2.1 (3) |
C2—Fe1—C6—C10 | 47.5 (2) | C13—C14—C15—C16 | −0.7 (4) |
C1—Fe1—C6—C10 | 82.35 (13) | C14—C15—C16—C17 | −0.7 (3) |
C7—Fe1—C6—C10 | −119.41 (18) | C15—C16—C17—C18 | 0.6 (3) |
C3—Fe1—C6—C10 | −162.3 (3) | C15—C16—C17—Cl1 | −179.52 (17) |
C9—Fe1—C6—C10 | −38.08 (11) | C16—C17—C18—C13 | 0.9 (3) |
C8—Fe1—C6—C10 | −81.77 (13) | Cl1—C17—C18—C13 | −179.01 (14) |
C4—Fe1—C6—C10 | 165.76 (11) | N1—C13—C18—C17 | 176.07 (17) |
C5—Fe1—C6—C10 | 124.98 (11) | C14—C13—C18—C17 | −2.2 (3) |