Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270100002912/sk1355sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S0108270100002912/sk1355Isup2.hkl |
CCDC reference: 146045
Data collection: XSCANS (Siemens, 1994); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 1990).
[Fe(C5H5)2]2[SbCl4]2[SbCl3] | Z = 2 |
Mr = 1127.26 | F(000) = 1064 |
Triclinic, P1 | Dx = 2.222 Mg m−3 |
a = 11.615 (2) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 12.000 (1) Å | Cell parameters from 41 reflections |
c = 13.789 (1) Å | θ = 5.0–12.3° |
α = 80.03 (1)° | µ = 4.10 mm−1 |
β = 84.42 (1)° | T = 293 K |
γ = 62.92 (1)° | Needle, dark blue |
V = 1685.0 (3) Å3 | 0.36 × 0.18 × 0.08 mm |
Siemens P4 diffractometer | 3378 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.046 |
Graphite monochromator | θmax = 25°, θmin = 1.9° |
θ/2θ scans | h = −1→13 |
Absorption correction: empirical (using intensity measurements) ψ scans (XSCANS; Siemens, 1994) | k = −13→14 |
Tmin = 0.320, Tmax = 0.735 | l = −16→16 |
6898 measured reflections | 3 standard reflections every 97 reflections |
5935 independent reflections | intensity decay: <3% |
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)] = 0.040 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.085 | H-atom parameters constrained |
S = 0.81 | w = 1/[σ2(Fo2) + (0.0226P)2] where P = (Fo2 + 2Fc2)/3 |
5935 reflections | (Δ/σ)max < 0.001 |
325 parameters | Δρmax = 0.71 e Å−3 |
0 restraints | Δρmin = −1.04 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. Since there were not enough high-intensity reflections with a ψ-value close to 90°, this may have resulted in the slightly low value of the goodness-of-fit S. |
x | y | z | Uiso*/Ueq | ||
Sb1 | 0.50308 (6) | 0.84703 (5) | 0.10473 (4) | 0.03887 (16) | |
Sb2 | 0.62331 (6) | 0.77279 (5) | −0.21095 (4) | 0.03795 (16) | |
Sb3 | 0.68274 (6) | 0.89146 (5) | 0.42706 (4) | 0.03969 (16) | |
Fe1 | 0.76761 (12) | 0.33822 (11) | 0.48678 (8) | 0.0403 (3) | |
Fe2 | 1.08012 (12) | −0.26271 (10) | 0.99722 (8) | 0.0357 (3) | |
Cl1 | 0.6049 (3) | 0.7659 (3) | 0.2731 (2) | 0.0937 (11) | |
Cl2 | 0.3924 (3) | 0.9321 (2) | −0.07215 (18) | 0.0629 (7) | |
Cl3 | 0.4538 (3) | 0.6735 (2) | 0.12231 (19) | 0.0588 (7) | |
Cl4 | 0.2989 (3) | 0.9819 (2) | 0.17531 (19) | 0.0643 (7) | |
Cl5 | 0.5271 (2) | 0.8210 (2) | −0.39897 (17) | 0.0580 (6) | |
Cl6 | 0.5515 (2) | 0.6156 (2) | −0.17989 (17) | 0.0529 (6) | |
Cl7 | 0.7293 (2) | 0.6949 (2) | −0.04529 (16) | 0.0581 (6) | |
Cl8 | 0.8288 (2) | 0.6394 (2) | −0.27700 (16) | 0.0543 (6) | |
Cl9 | 0.8514 (2) | 0.6802 (2) | 0.45212 (17) | 0.0574 (6) | |
Cl10 | 0.8081 (3) | 0.9565 (2) | 0.30316 (18) | 0.0718 (8) | |
Cl11 | 0.7545 (3) | 0.9583 (2) | 0.55247 (17) | 0.0612 (7) | |
C1 | 0.8438 (14) | 0.2852 (19) | 0.6268 (7) | 0.097 (5) | |
H1A | 0.9341 | 0.2294 | 0.6444 | 0.116* | |
C2 | 0.789 (2) | 0.4120 (19) | 0.6044 (9) | 0.095 (5) | |
H2A | 0.8345 | 0.4642 | 0.6017 | 0.114* | |
C3 | 0.663 (2) | 0.4563 (13) | 0.5893 (8) | 0.104 (6) | |
H3A | 0.6024 | 0.5459 | 0.5738 | 0.125* | |
C4 | 0.6316 (14) | 0.355 (2) | 0.5995 (8) | 0.105 (6) | |
H4A | 0.5458 | 0.3594 | 0.5957 | 0.126* | |
C5 | 0.747 (2) | 0.2488 (11) | 0.6209 (8) | 0.090 (5) | |
H5A | 0.7580 | 0.1617 | 0.6347 | 0.108* | |
C6 | 0.8363 (16) | 0.4042 (13) | 0.3581 (8) | 0.079 (4) | |
H6A | 0.8553 | 0.4772 | 0.3472 | 0.095* | |
C7 | 0.9200 (10) | 0.2834 (13) | 0.3874 (7) | 0.066 (3) | |
H7A | 1.0107 | 0.2539 | 0.4031 | 0.080* | |
C8 | 0.8611 (14) | 0.2083 (9) | 0.3909 (7) | 0.068 (3) | |
H8A | 0.9021 | 0.1162 | 0.4091 | 0.082* | |
C9 | 0.7351 (13) | 0.2822 (15) | 0.3624 (8) | 0.078 (4) | |
H9A | 0.6710 | 0.2518 | 0.3568 | 0.093* | |
C10 | 0.7157 (14) | 0.4057 (13) | 0.3402 (7) | 0.092 (5) | |
H10A | 0.6366 | 0.4794 | 0.3153 | 0.110* | |
C11 | 1.2367 (11) | −0.3748 (11) | 0.9166 (7) | 0.075 (4) | |
H11A | 1.3194 | −0.4419 | 0.9424 | 0.090* | |
C12 | 1.2070 (10) | −0.2497 (10) | 0.8864 (7) | 0.058 (3) | |
H12A | 1.2655 | −0.2119 | 0.8890 | 0.070* | |
C13 | 1.0828 (11) | −0.1854 (9) | 0.8505 (6) | 0.060 (3) | |
H13A | 1.0390 | −0.0954 | 0.8236 | 0.072* | |
C14 | 1.0323 (10) | −0.2707 (10) | 0.8577 (6) | 0.060 (3) | |
H14A | 0.9465 | −0.2525 | 0.8368 | 0.072* | |
C15 | 1.1273 (13) | −0.3885 (10) | 0.8988 (6) | 0.067 (3) | |
H15A | 1.1195 | −0.4677 | 0.9113 | 0.080* | |
C16 | 1.1265 (11) | −0.3114 (10) | 1.1441 (6) | 0.068 (3) | |
H16A | 1.2096 | −0.3763 | 1.1710 | 0.081* | |
C17 | 1.0942 (10) | −0.1833 (9) | 1.1149 (6) | 0.057 (3) | |
H17A | 1.1487 | −0.1414 | 1.1184 | 0.069* | |
C18 | 0.9628 (10) | −0.1248 (9) | 1.0847 (6) | 0.057 (3) | |
H18A | 0.9113 | −0.0346 | 1.0612 | 0.068* | |
C19 | 0.9205 (10) | −0.2169 (10) | 1.0947 (6) | 0.057 (3) | |
H19A | 0.8341 | −0.2028 | 1.0787 | 0.069* | |
C20 | 1.0193 (12) | −0.3315 (10) | 1.1303 (6) | 0.064 (3) | |
H20A | 1.0148 | −0.4123 | 1.1457 | 0.077* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Sb1 | 0.0467 (4) | 0.0386 (3) | 0.0394 (3) | −0.0253 (3) | −0.0036 (3) | −0.0064 (2) |
Sb2 | 0.0432 (4) | 0.0377 (3) | 0.0392 (3) | −0.0234 (3) | −0.0013 (3) | −0.0055 (2) |
Sb3 | 0.0458 (4) | 0.0416 (3) | 0.0337 (3) | −0.0210 (3) | −0.0030 (3) | −0.0050 (2) |
Fe1 | 0.0447 (8) | 0.0504 (7) | 0.0326 (6) | −0.0258 (7) | 0.0062 (6) | −0.0138 (5) |
Fe2 | 0.0350 (7) | 0.0405 (7) | 0.0336 (6) | −0.0172 (6) | 0.0013 (5) | −0.0106 (5) |
Cl1 | 0.125 (3) | 0.101 (2) | 0.077 (2) | −0.069 (2) | −0.050 (2) | 0.0153 (16) |
Cl2 | 0.0597 (18) | 0.0547 (14) | 0.0707 (16) | −0.0192 (14) | −0.0201 (14) | −0.0080 (12) |
Cl3 | 0.0628 (17) | 0.0436 (13) | 0.0836 (17) | −0.0352 (13) | 0.0069 (14) | −0.0145 (12) |
Cl4 | 0.0646 (18) | 0.0522 (14) | 0.0748 (17) | −0.0236 (14) | 0.0147 (14) | −0.0218 (12) |
Cl5 | 0.0518 (17) | 0.0634 (15) | 0.0562 (14) | −0.0242 (14) | −0.0077 (12) | −0.0031 (12) |
Cl6 | 0.0548 (16) | 0.0489 (13) | 0.0665 (15) | −0.0350 (13) | 0.0060 (12) | −0.0064 (11) |
Cl7 | 0.0575 (17) | 0.0692 (16) | 0.0489 (13) | −0.0294 (14) | −0.0104 (12) | −0.0036 (12) |
Cl8 | 0.0416 (15) | 0.0696 (15) | 0.0520 (14) | −0.0257 (13) | 0.0051 (11) | −0.0108 (11) |
Cl9 | 0.0589 (17) | 0.0449 (13) | 0.0621 (15) | −0.0149 (13) | −0.0104 (13) | −0.0112 (11) |
Cl10 | 0.094 (2) | 0.0771 (17) | 0.0528 (15) | −0.0499 (17) | 0.0253 (15) | −0.0120 (13) |
Cl11 | 0.080 (2) | 0.0555 (14) | 0.0569 (14) | −0.0327 (14) | −0.0174 (13) | −0.0151 (11) |
C1 | 0.096 (12) | 0.155 (15) | 0.028 (6) | −0.043 (12) | −0.012 (6) | −0.014 (8) |
C2 | 0.158 (17) | 0.139 (14) | 0.051 (7) | −0.116 (14) | 0.022 (9) | −0.043 (9) |
C3 | 0.132 (15) | 0.082 (9) | 0.046 (7) | −0.003 (11) | 0.026 (9) | −0.024 (6) |
C4 | 0.067 (11) | 0.231 (19) | 0.051 (7) | −0.090 (13) | 0.031 (7) | −0.054 (11) |
C5 | 0.181 (16) | 0.053 (7) | 0.045 (6) | −0.065 (10) | 0.046 (9) | −0.019 (5) |
C6 | 0.128 (13) | 0.105 (10) | 0.051 (7) | −0.094 (10) | 0.043 (7) | −0.036 (7) |
C7 | 0.047 (7) | 0.108 (10) | 0.042 (6) | −0.030 (8) | 0.011 (5) | −0.026 (6) |
C8 | 0.107 (11) | 0.049 (6) | 0.046 (6) | −0.033 (7) | 0.022 (7) | −0.022 (5) |
C9 | 0.077 (10) | 0.147 (12) | 0.053 (7) | −0.078 (10) | 0.026 (6) | −0.058 (8) |
C10 | 0.084 (11) | 0.087 (9) | 0.044 (6) | 0.016 (8) | −0.002 (6) | −0.014 (6) |
C11 | 0.054 (8) | 0.077 (8) | 0.058 (6) | 0.008 (7) | 0.010 (6) | −0.032 (6) |
C12 | 0.053 (7) | 0.084 (8) | 0.052 (6) | −0.040 (7) | 0.014 (5) | −0.028 (6) |
C13 | 0.082 (9) | 0.052 (6) | 0.036 (5) | −0.021 (6) | 0.007 (5) | −0.013 (4) |
C14 | 0.060 (7) | 0.091 (8) | 0.040 (5) | −0.036 (7) | −0.003 (5) | −0.029 (5) |
C15 | 0.115 (11) | 0.058 (7) | 0.038 (5) | −0.044 (7) | 0.010 (6) | −0.023 (5) |
C16 | 0.075 (8) | 0.083 (8) | 0.023 (5) | −0.015 (7) | −0.012 (5) | −0.003 (5) |
C17 | 0.064 (8) | 0.073 (7) | 0.049 (6) | −0.035 (6) | −0.001 (5) | −0.034 (5) |
C18 | 0.054 (7) | 0.056 (6) | 0.052 (6) | −0.009 (6) | −0.002 (5) | −0.032 (5) |
C19 | 0.046 (7) | 0.087 (8) | 0.051 (6) | −0.039 (6) | 0.019 (5) | −0.025 (6) |
C20 | 0.101 (10) | 0.068 (7) | 0.037 (5) | −0.053 (8) | 0.012 (6) | −0.005 (5) |
Sb1—Cl3 | 2.367 (2) | Fe2—C15 | 2.057 (9) |
Sb1—Cl4 | 2.407 (3) | Fe2—C11 | 2.061 (9) |
Sb1—Cl1 | 2.538 (3) | Fe2—C16 | 2.062 (8) |
Sb1—Cl2 | 2.683 (2) | Fe2—C17 | 2.073 (8) |
Sb1—Cl7 | 3.225 (3) | Fe2—C20 | 2.074 (9) |
Sb1—Cl2i | 3.334 (3) | Fe2—C13 | 2.078 (9) |
Sb2—Cl6 | 2.350 (2) | Fe2—C14 | 2.083 (8) |
Sb2—Cl8 | 2.386 (2) | Fe2—C18 | 2.090 (8) |
Sb2—Cl7 | 2.523 (2) | Fe2—C19 | 2.095 (9) |
Sb2—Cl5 | 2.786 (2) | C1—C2 | 1.345 (17) |
Sb2—Cl2 | 3.180 (3) | C1—C5 | 1.390 (18) |
Sb2—Cl4i | 3.568 (3) | C2—C3 | 1.331 (18) |
Sb3—Cl9 | 2.386 (2) | C3—C4 | 1.403 (18) |
Sb3—Cl11 | 2.387 (2) | C4—C5 | 1.380 (17) |
Sb3—Cl10 | 2.395 (3) | C6—C7 | 1.342 (14) |
Sb3—Cl5ii | 3.096 (3) | C6—C10 | 1.437 (17) |
Sb3—Cl5i | 3.172 (2) | C7—C8 | 1.349 (14) |
Sb3—Cl1 | 3.212 (3) | C8—C9 | 1.376 (14) |
Fe1—C5 | 2.021 (10) | C9—C10 | 1.377 (15) |
Fe1—C7 | 2.055 (10) | C11—C12 | 1.373 (13) |
Fe1—C6 | 2.055 (10) | C11—C15 | 1.403 (15) |
Fe1—C8 | 2.061 (9) | C12—C13 | 1.383 (13) |
Fe1—C2 | 2.063 (11) | C13—C14 | 1.379 (13) |
Fe1—C3 | 2.067 (11) | C14—C15 | 1.400 (13) |
Fe1—C4 | 2.072 (11) | C16—C17 | 1.398 (13) |
Fe1—C9 | 2.073 (9) | C16—C20 | 1.407 (14) |
Fe1—C1 | 2.076 (10) | C17—C18 | 1.430 (13) |
Fe1—C10 | 2.081 (10) | C18—C19 | 1.382 (12) |
Fe2—C12 | 2.054 (9) | C19—C20 | 1.374 (13) |
Cl3—Sb1—Cl4 | 93.46 (9) | C11—Fe2—C17 | 124.0 (5) |
Cl3—Sb1—Cl1 | 89.35 (9) | C16—Fe2—C17 | 39.5 (4) |
Cl4—Sb1—Cl1 | 91.27 (11) | C12—Fe2—C20 | 157.7 (5) |
Cl3—Sb1—Cl2 | 90.00 (9) | C15—Fe2—C20 | 109.8 (4) |
Cl4—Sb1—Cl2 | 88.16 (9) | C11—Fe2—C20 | 123.1 (5) |
Cl1—Sb1—Cl2 | 179.11 (10) | C16—Fe2—C20 | 39.8 (4) |
Cl3—Sb1—Cl7 | 85.30 (8) | C17—Fe2—C20 | 66.8 (4) |
Cl4—Sb1—Cl7 | 163.82 (8) | C12—Fe2—C13 | 39.1 (4) |
Cl1—Sb1—Cl7 | 104.84 (10) | C15—Fe2—C13 | 65.5 (4) |
Cl2—Sb1—Cl7 | 75.71 (7) | C11—Fe2—C13 | 66.1 (4) |
Cl3—Sb1—Cl2i | 173.24 (8) | C16—Fe2—C13 | 158.1 (5) |
Cl4—Sb1—Cl2i | 93.24 (8) | C17—Fe2—C13 | 124.1 (4) |
Cl1—Sb1—Cl2i | 89.58 (8) | C20—Fe2—C13 | 161.3 (5) |
Cl2—Sb1—Cl2i | 91.14 (7) | C12—Fe2—C14 | 65.4 (4) |
Cl6—Sb2—Cl8 | 94.61 (9) | C15—Fe2—C14 | 39.5 (4) |
Cl6—Sb2—Cl7 | 89.41 (8) | C11—Fe2—C14 | 66.6 (4) |
Cl8—Sb2—Cl7 | 86.41 (8) | C16—Fe2—C14 | 161.2 (5) |
Cl6—Sb2—Cl5 | 85.40 (8) | C17—Fe2—C14 | 158.4 (4) |
Cl8—Sb2—Cl5 | 87.10 (8) | C20—Fe2—C14 | 126.0 (4) |
Cl7—Sb2—Cl5 | 171.34 (8) | C13—Fe2—C14 | 38.7 (4) |
Cl6—Sb2—Cl2 | 87.87 (8) | C12—Fe2—C18 | 127.4 (4) |
Cl8—Sb2—Cl2 | 164.86 (7) | C15—Fe2—C18 | 158.2 (5) |
Cl7—Sb2—Cl2 | 78.67 (7) | C11—Fe2—C18 | 161.2 (5) |
Cl5—Sb2—Cl2 | 108.00 (7) | C16—Fe2—C18 | 65.9 (4) |
Cl6—Sb2—Cl4i | 161.15 (7) | C17—Fe2—C18 | 40.2 (3) |
Cl8—Sb2—Cl4i | 96.94 (7) | C20—Fe2—C18 | 65.2 (4) |
Cl7—Sb2—Cl4i | 76.54 (7) | C13—Fe2—C18 | 111.8 (4) |
Cl5—Sb2—Cl4i | 109.97 (7) | C14—Fe2—C18 | 124.4 (4) |
Cl2—Sb2—Cl4i | 77.20 (6) | C12—Fe2—C19 | 162.5 (4) |
Cl9—Sb3—Cl11 | 94.08 (8) | C15—Fe2—C19 | 124.2 (4) |
Cl9—Sb3—Cl10 | 91.82 (10) | C11—Fe2—C19 | 157.7 (5) |
Cl11—Sb3—Cl10 | 91.86 (10) | C16—Fe2—C19 | 65.5 (4) |
Cl9—Sb3—Cl5ii | 89.55 (8) | C17—Fe2—C19 | 66.3 (4) |
Cl11—Sb3—Cl5ii | 82.59 (8) | C20—Fe2—C19 | 38.5 (4) |
Cl10—Sb3—Cl5ii | 174.37 (8) | C13—Fe2—C19 | 127.5 (4) |
Cl9—Sb3—Cl5i | 175.73 (8) | C14—Fe2—C19 | 111.5 (4) |
Cl11—Sb3—Cl5i | 82.22 (8) | C18—Fe2—C19 | 38.6 (3) |
Cl10—Sb3—Cl5i | 86.20 (8) | C2—C1—C5 | 106.7 (13) |
Cl5ii—Sb3—Cl5i | 92.07 (6) | C2—C1—Fe1 | 70.5 (7) |
Cl9—Sb3—Cl1 | 79.29 (8) | C5—C1—Fe1 | 68.0 (6) |
Cl11—Sb3—Cl1 | 172.73 (8) | C3—C2—C1 | 109.9 (14) |
Cl10—Sb3—Cl1 | 91.32 (9) | C3—C2—Fe1 | 71.4 (7) |
Cl5ii—Sb3—Cl1 | 94.30 (8) | C1—C2—Fe1 | 71.6 (7) |
Cl5i—Sb3—Cl1 | 104.51 (7) | C2—C3—C4 | 109.6 (14) |
C5—Fe1—C7 | 129.6 (6) | C2—C3—Fe1 | 71.0 (7) |
C5—Fe1—C6 | 165.8 (8) | C4—C3—Fe1 | 70.4 (7) |
C7—Fe1—C6 | 38.1 (4) | C5—C4—C3 | 104.4 (12) |
C5—Fe1—C8 | 109.9 (4) | C5—C4—Fe1 | 68.3 (6) |
C7—Fe1—C8 | 38.3 (4) | C3—C4—Fe1 | 70.0 (7) |
C6—Fe1—C8 | 64.7 (4) | C4—C5—C1 | 109.4 (12) |
C5—Fe1—C2 | 65.0 (5) | C4—C5—Fe1 | 72.3 (7) |
C7—Fe1—C2 | 116.2 (6) | C1—C5—Fe1 | 72.3 (6) |
C6—Fe1—C2 | 111.2 (5) | C7—C6—C10 | 107.2 (10) |
C8—Fe1—C2 | 145.2 (7) | C7—C6—Fe1 | 70.9 (6) |
C5—Fe1—C3 | 65.1 (5) | C10—C6—Fe1 | 70.6 (6) |
C7—Fe1—C3 | 147.9 (8) | C6—C7—C8 | 109.9 (11) |
C6—Fe1—C3 | 121.1 (6) | C6—C7—Fe1 | 71.0 (6) |
C8—Fe1—C3 | 173.6 (7) | C8—C7—Fe1 | 71.1 (6) |
C2—Fe1—C3 | 37.6 (5) | C7—C8—C9 | 108.7 (10) |
C5—Fe1—C4 | 39.4 (5) | C7—C8—Fe1 | 70.6 (5) |
C7—Fe1—C4 | 168.4 (8) | C9—C8—Fe1 | 71.0 (6) |
C6—Fe1—C4 | 153.4 (8) | C8—C9—C10 | 108.1 (11) |
C8—Fe1—C4 | 134.0 (7) | C8—C9—Fe1 | 70.1 (6) |
C2—Fe1—C4 | 65.4 (5) | C10—C9—Fe1 | 71.0 (6) |
C3—Fe1—C4 | 39.6 (5) | C9—C10—C6 | 106.1 (11) |
C5—Fe1—C9 | 119.0 (6) | C9—C10—Fe1 | 70.3 (6) |
C7—Fe1—C9 | 64.9 (4) | C6—C10—Fe1 | 68.7 (6) |
C6—Fe1—C9 | 66.0 (4) | C12—C11—C15 | 106.3 (10) |
C8—Fe1—C9 | 38.9 (4) | C12—C11—Fe2 | 70.2 (5) |
C2—Fe1—C9 | 174.4 (8) | C15—C11—Fe2 | 69.9 (6) |
C3—Fe1—C9 | 139.0 (7) | C11—C12—C13 | 109.9 (10) |
C4—Fe1—C9 | 114.7 (5) | C11—C12—Fe2 | 70.8 (6) |
C5—Fe1—C1 | 39.6 (5) | C13—C12—Fe2 | 71.4 (6) |
C7—Fe1—C1 | 107.6 (5) | C14—C13—C12 | 108.0 (9) |
C6—Fe1—C1 | 128.9 (7) | C14—C13—Fe2 | 70.8 (5) |
C8—Fe1—C1 | 115.3 (6) | C12—C13—Fe2 | 69.5 (5) |
C2—Fe1—C1 | 37.9 (5) | C13—C14—C15 | 107.3 (9) |
C3—Fe1—C1 | 63.8 (5) | C13—C14—Fe2 | 70.5 (5) |
C4—Fe1—C1 | 66.0 (5) | C15—C14—Fe2 | 69.2 (5) |
C9—Fe1—C1 | 147.7 (7) | C14—C15—C11 | 108.5 (10) |
C5—Fe1—C10 | 151.1 (8) | C14—C15—Fe2 | 71.2 (5) |
C7—Fe1—C10 | 65.5 (4) | C11—C15—Fe2 | 70.3 (5) |
C6—Fe1—C10 | 40.6 (5) | C17—C16—C20 | 108.8 (10) |
C8—Fe1—C10 | 65.1 (4) | C17—C16—Fe2 | 70.7 (5) |
C2—Fe1—C10 | 136.0 (7) | C20—C16—Fe2 | 70.6 (5) |
C3—Fe1—C10 | 117.1 (5) | C16—C17—C18 | 105.9 (9) |
C4—Fe1—C10 | 122.2 (6) | C16—C17—Fe2 | 69.8 (5) |
C9—Fe1—C10 | 38.7 (4) | C18—C17—Fe2 | 70.6 (5) |
C1—Fe1—C10 | 169.2 (8) | C19—C18—C17 | 108.3 (9) |
C12—Fe2—C15 | 65.4 (4) | C19—C18—Fe2 | 70.9 (5) |
C12—Fe2—C11 | 39.0 (4) | C17—C18—Fe2 | 69.3 (5) |
C15—Fe2—C11 | 39.8 (4) | C20—C19—C18 | 109.1 (9) |
C12—Fe2—C16 | 123.3 (5) | C20—C19—Fe2 | 69.9 (6) |
C15—Fe2—C16 | 125.2 (4) | C18—C19—Fe2 | 70.5 (5) |
C11—Fe2—C16 | 108.7 (4) | C19—C20—C16 | 107.8 (9) |
C12—Fe2—C17 | 109.8 (4) | C19—C20—Fe2 | 71.6 (5) |
C15—Fe2—C17 | 160.1 (5) | C16—C20—Fe2 | 69.6 (5) |
C5—Fe1—C1—C2 | −118.1 (13) | C1—Fe1—C10—C6 | 15 (3) |
C7—Fe1—C1—C2 | 110.3 (11) | C15—Fe2—C11—C12 | 116.7 (9) |
C6—Fe1—C1—C2 | 73.8 (11) | C16—Fe2—C11—C12 | −120.3 (7) |
C8—Fe1—C1—C2 | 150.7 (10) | C17—Fe2—C11—C12 | −79.3 (7) |
C3—Fe1—C1—C2 | −36.3 (9) | C20—Fe2—C11—C12 | −161.9 (6) |
C4—Fe1—C1—C2 | −80.2 (10) | C13—Fe2—C11—C12 | 36.8 (6) |
C9—Fe1—C1—C2 | −179.0 (9) | C14—Fe2—C11—C12 | 79.2 (7) |
C10—Fe1—C1—C2 | 61 (3) | C18—Fe2—C11—C12 | −50.7 (15) |
C7—Fe1—C1—C5 | −131.6 (9) | C19—Fe2—C11—C12 | 169.0 (9) |
C6—Fe1—C1—C5 | −168.1 (8) | C12—Fe2—C11—C15 | −116.7 (9) |
C8—Fe1—C1—C5 | −91.2 (9) | C16—Fe2—C11—C15 | 123.0 (7) |
C2—Fe1—C1—C5 | 118.1 (13) | C17—Fe2—C11—C15 | 164.0 (6) |
C3—Fe1—C1—C5 | 81.8 (9) | C20—Fe2—C11—C15 | 81.4 (8) |
C4—Fe1—C1—C5 | 37.9 (8) | C13—Fe2—C11—C15 | −79.9 (7) |
C9—Fe1—C1—C5 | −60.9 (13) | C14—Fe2—C11—C15 | −37.5 (6) |
C10—Fe1—C1—C5 | 179 (2) | C18—Fe2—C11—C15 | −167.4 (10) |
C5—C1—C2—C3 | 2.7 (14) | C19—Fe2—C11—C15 | 52.3 (14) |
Fe1—C1—C2—C3 | 61.4 (9) | Fe2—C11—C12—C13 | −61.0 (7) |
C5—C1—C2—Fe1 | −58.7 (8) | C15—C11—C12—Fe2 | 60.9 (7) |
C5—Fe1—C2—C3 | −81.0 (10) | C15—Fe2—C12—C11 | −39.0 (6) |
C7—Fe1—C2—C3 | 155.3 (10) | C16—Fe2—C12—C11 | 78.2 (8) |
C6—Fe1—C2—C3 | 113.9 (11) | C17—Fe2—C12—C11 | 120.1 (7) |
C8—Fe1—C2—C3 | −170.3 (9) | C20—Fe2—C12—C11 | 43.3 (13) |
C4—Fe1—C2—C3 | −37.4 (9) | C13—Fe2—C12—C11 | −119.8 (9) |
C9—Fe1—C2—C3 | 55 (6) | C14—Fe2—C12—C11 | −82.7 (7) |
C1—Fe1—C2—C3 | −119.4 (14) | C18—Fe2—C12—C11 | 161.7 (6) |
C10—Fe1—C2—C3 | 74.3 (12) | C19—Fe2—C12—C11 | −166.1 (12) |
C5—Fe1—C2—C1 | 38.4 (9) | C15—Fe2—C12—C13 | 80.8 (6) |
C7—Fe1—C2—C1 | −85.3 (11) | C11—Fe2—C12—C13 | 119.8 (9) |
C6—Fe1—C2—C1 | −126.7 (11) | C16—Fe2—C12—C13 | −162.0 (6) |
C8—Fe1—C2—C1 | −50.9 (14) | C17—Fe2—C12—C13 | −120.1 (6) |
C3—Fe1—C2—C1 | 119.4 (14) | C20—Fe2—C12—C13 | 163.2 (9) |
C4—Fe1—C2—C1 | 82.0 (10) | C14—Fe2—C12—C13 | 37.2 (5) |
C9—Fe1—C2—C1 | 174 (5) | C18—Fe2—C12—C13 | −78.5 (7) |
C10—Fe1—C2—C1 | −166.3 (9) | C19—Fe2—C12—C13 | −46.3 (15) |
C1—C2—C3—C4 | −1.5 (15) | Fe2—C12—C13—C14 | −60.7 (6) |
Fe1—C2—C3—C4 | 60.0 (9) | C11—C12—C13—Fe2 | 60.6 (7) |
C1—C2—C3—Fe1 | −61.5 (9) | C12—Fe2—C13—C14 | 118.6 (8) |
C5—Fe1—C3—C2 | 80.8 (10) | C15—Fe2—C13—C14 | 38.1 (6) |
C7—Fe1—C3—C2 | −44.8 (15) | C11—Fe2—C13—C14 | 81.9 (7) |
C6—Fe1—C3—C2 | −84.7 (11) | C16—Fe2—C13—C14 | 162.4 (10) |
C8—Fe1—C3—C2 | 120 (6) | C17—Fe2—C13—C14 | −162.0 (6) |
C4—Fe1—C3—C2 | 120.0 (13) | C20—Fe2—C13—C14 | −41.4 (14) |
C9—Fe1—C3—C2 | −173.0 (9) | C18—Fe2—C13—C14 | −118.3 (6) |
C1—Fe1—C3—C2 | 36.6 (9) | C19—Fe2—C13—C14 | −77.3 (7) |
C10—Fe1—C3—C2 | −131.3 (11) | C15—Fe2—C13—C12 | −80.5 (7) |
C5—Fe1—C3—C4 | −39.2 (8) | C11—Fe2—C13—C12 | −36.7 (6) |
C7—Fe1—C3—C4 | −164.8 (10) | C16—Fe2—C13—C12 | 43.8 (13) |
C6—Fe1—C3—C4 | 155.3 (10) | C17—Fe2—C13—C12 | 79.4 (7) |
C2—Fe1—C3—C4 | −120.0 (13) | C20—Fe2—C13—C12 | −160.0 (11) |
C9—Fe1—C3—C4 | 67.1 (12) | C14—Fe2—C13—C12 | −118.6 (8) |
C1—Fe1—C3—C4 | −83.3 (9) | C18—Fe2—C13—C12 | 123.1 (6) |
C10—Fe1—C3—C4 | 108.7 (11) | C19—Fe2—C13—C12 | 164.1 (6) |
Fe1—C3—C4—C5 | 60.0 (8) | Fe2—C13—C14—C15 | −59.7 (6) |
C2—C3—C4—Fe1 | −60.4 (9) | C12—C13—C14—Fe2 | 59.8 (6) |
C7—Fe1—C4—C5 | 21 (3) | C12—Fe2—C14—C13 | −37.5 (6) |
C6—Fe1—C4—C5 | −168.4 (11) | C15—Fe2—C14—C13 | −118.1 (9) |
C8—Fe1—C4—C5 | 64.6 (11) | C11—Fe2—C14—C13 | −80.4 (7) |
C2—Fe1—C4—C5 | −79.9 (9) | C16—Fe2—C14—C13 | −159.5 (12) |
C3—Fe1—C4—C5 | −115.4 (12) | C17—Fe2—C14—C13 | 44.0 (14) |
C9—Fe1—C4—C5 | 106.3 (10) | C20—Fe2—C14—C13 | 164.8 (6) |
C1—Fe1—C4—C5 | −38.1 (8) | C18—Fe2—C14—C13 | 82.2 (7) |
C10—Fe1—C4—C5 | 149.8 (10) | C19—Fe2—C14—C13 | 123.7 (6) |
C5—Fe1—C4—C3 | 115.4 (12) | C12—Fe2—C14—C15 | 80.6 (7) |
C7—Fe1—C4—C3 | 136 (3) | C11—Fe2—C14—C15 | 37.8 (7) |
C6—Fe1—C4—C3 | −53.0 (15) | C16—Fe2—C14—C15 | −41.3 (16) |
C8—Fe1—C4—C3 | −180.0 (10) | C17—Fe2—C14—C15 | 162.1 (10) |
C2—Fe1—C4—C3 | 35.5 (8) | C20—Fe2—C14—C15 | −77.1 (8) |
C9—Fe1—C4—C3 | −138.3 (10) | C13—Fe2—C14—C15 | 118.1 (9) |
C1—Fe1—C4—C3 | 77.3 (9) | C18—Fe2—C14—C15 | −159.7 (7) |
C10—Fe1—C4—C3 | −94.8 (11) | C19—Fe2—C14—C15 | −118.2 (7) |
C3—C4—C5—C1 | 2.1 (13) | Fe2—C14—C15—C11 | −60.6 (7) |
Fe1—C4—C5—C1 | 63.2 (8) | C13—C14—C15—Fe2 | 60.5 (6) |
C3—C4—C5—Fe1 | −61.2 (8) | Fe2—C11—C15—C14 | 61.3 (7) |
C2—C1—C5—C4 | −3.0 (13) | C12—C11—C15—Fe2 | −61.1 (6) |
Fe1—C1—C5—C4 | −63.2 (8) | C12—Fe2—C15—C14 | −80.5 (7) |
C2—C1—C5—Fe1 | 60.2 (8) | C11—Fe2—C15—C14 | −118.6 (10) |
C7—Fe1—C5—C4 | −174.6 (9) | C16—Fe2—C15—C14 | 164.9 (7) |
C6—Fe1—C5—C4 | 158.6 (16) | C17—Fe2—C15—C14 | −160.7 (11) |
C8—Fe1—C5—C4 | −136.2 (10) | C20—Fe2—C15—C14 | 123.1 (7) |
C2—Fe1—C5—C4 | 81.1 (9) | C13—Fe2—C15—C14 | −37.3 (6) |
C3—Fe1—C5—C4 | 39.4 (8) | C18—Fe2—C15—C14 | 50.5 (13) |
C9—Fe1—C5—C4 | −94.5 (10) | C19—Fe2—C15—C14 | 82.7 (7) |
C1—Fe1—C5—C4 | 117.8 (11) | C12—Fe2—C15—C11 | 38.2 (6) |
C10—Fe1—C5—C4 | −61.9 (13) | C16—Fe2—C15—C11 | −76.5 (8) |
C7—Fe1—C5—C1 | 67.5 (10) | C17—Fe2—C15—C11 | −42.1 (15) |
C6—Fe1—C5—C1 | 41 (2) | C20—Fe2—C15—C11 | −118.3 (7) |
C8—Fe1—C5—C1 | 105.9 (10) | C13—Fe2—C15—C11 | 81.3 (7) |
C2—Fe1—C5—C1 | −36.8 (8) | C14—Fe2—C15—C11 | 118.6 (10) |
C3—Fe1—C5—C1 | −78.4 (9) | C18—Fe2—C15—C11 | 169.1 (9) |
C4—Fe1—C5—C1 | −117.8 (11) | C19—Fe2—C15—C11 | −158.7 (7) |
C9—Fe1—C5—C1 | 147.7 (9) | C12—Fe2—C16—C17 | 80.7 (7) |
C10—Fe1—C5—C1 | −179.8 (10) | C15—Fe2—C16—C17 | 162.4 (7) |
C5—Fe1—C6—C7 | 34 (2) | C11—Fe2—C16—C17 | 121.3 (7) |
C8—Fe1—C6—C7 | −36.4 (7) | C20—Fe2—C16—C17 | −119.1 (10) |
C2—Fe1—C6—C7 | 105.9 (10) | C13—Fe2—C16—C17 | 49.2 (13) |
C3—Fe1—C6—C7 | 146.5 (9) | C14—Fe2—C16—C17 | −166.7 (12) |
C4—Fe1—C6—C7 | −176.9 (11) | C18—Fe2—C16—C17 | −39.4 (6) |
C9—Fe1—C6—C7 | −79.4 (7) | C19—Fe2—C16—C17 | −81.9 (7) |
C1—Fe1—C6—C7 | 66.6 (10) | C12—Fe2—C16—C20 | −160.2 (6) |
C10—Fe1—C6—C7 | −117.0 (10) | C15—Fe2—C16—C20 | −78.5 (8) |
C5—Fe1—C6—C10 | 151.2 (17) | C11—Fe2—C16—C20 | −119.6 (7) |
C7—Fe1—C6—C10 | 117.0 (10) | C17—Fe2—C16—C20 | 119.1 (10) |
C8—Fe1—C6—C10 | 80.5 (7) | C13—Fe2—C16—C20 | 168.3 (9) |
C2—Fe1—C6—C10 | −137.2 (10) | C14—Fe2—C16—C20 | −47.6 (16) |
C3—Fe1—C6—C10 | −96.5 (10) | C18—Fe2—C16—C20 | 79.7 (7) |
C4—Fe1—C6—C10 | −60.0 (13) | C19—Fe2—C16—C20 | 37.2 (6) |
C9—Fe1—C6—C10 | 37.6 (7) | C20—C16—C17—C18 | 1.2 (10) |
C1—Fe1—C6—C10 | −176.4 (9) | Fe2—C16—C17—C18 | 61.7 (6) |
Fe1—C6—C7—C8 | 60.7 (7) | C20—C16—C17—Fe2 | −60.5 (6) |
C10—C6—C7—Fe1 | −61.7 (7) | C12—Fe2—C17—C16 | −118.8 (7) |
C5—Fe1—C7—C6 | −169.7 (9) | C15—Fe2—C17—C16 | −46.6 (15) |
C8—Fe1—C7—C6 | 119.9 (10) | C11—Fe2—C17—C16 | −77.8 (8) |
C2—Fe1—C7—C6 | −91.4 (9) | C20—Fe2—C17—C16 | 37.5 (7) |
C3—Fe1—C7—C6 | −62.8 (12) | C13—Fe2—C17—C16 | −160.0 (7) |
C4—Fe1—C7—C6 | 173 (2) | C14—Fe2—C17—C16 | 168.4 (10) |
C9—Fe1—C7—C6 | 82.5 (8) | C18—Fe2—C17—C16 | 116.1 (9) |
C1—Fe1—C7—C6 | −131.4 (9) | C19—Fe2—C17—C16 | 79.6 (7) |
C10—Fe1—C7—C6 | 39.6 (7) | C12—Fe2—C17—C18 | 125.1 (6) |
C5—Fe1—C7—C8 | 70.5 (10) | C15—Fe2—C17—C18 | −162.7 (11) |
C6—Fe1—C7—C8 | −119.9 (10) | C11—Fe2—C17—C18 | 166.2 (6) |
C2—Fe1—C7—C8 | 148.7 (9) | C16—Fe2—C17—C18 | −116.1 (9) |
C3—Fe1—C7—C8 | 177.3 (9) | C20—Fe2—C17—C18 | −78.6 (7) |
C4—Fe1—C7—C8 | 53 (3) | C13—Fe2—C17—C18 | 83.9 (7) |
C9—Fe1—C7—C8 | −37.4 (7) | C14—Fe2—C17—C18 | 52.3 (14) |
C1—Fe1—C7—C8 | 108.7 (9) | C19—Fe2—C17—C18 | −36.5 (6) |
C10—Fe1—C7—C8 | −80.2 (7) | Fe2—C17—C18—C19 | 60.4 (6) |
Fe1—C7—C8—C9 | 61.1 (7) | C16—C17—C18—Fe2 | −61.2 (6) |
C6—C7—C8—Fe1 | −60.6 (7) | C12—Fe2—C18—C19 | 165.1 (6) |
C5—Fe1—C8—C7 | −129.4 (9) | C15—Fe2—C18—C19 | 45.0 (13) |
C6—Fe1—C8—C7 | 36.3 (7) | C11—Fe2—C18—C19 | −157.1 (12) |
C2—Fe1—C8—C7 | −54.9 (11) | C16—Fe2—C18—C19 | −80.4 (7) |
C3—Fe1—C8—C7 | −167 (5) | C17—Fe2—C18—C19 | −119.2 (8) |
C4—Fe1—C8—C7 | −167.0 (8) | C20—Fe2—C18—C19 | −36.5 (6) |
C9—Fe1—C8—C7 | 118.8 (9) | C13—Fe2—C18—C19 | 123.4 (7) |
C1—Fe1—C8—C7 | −86.7 (9) | C14—Fe2—C18—C19 | 81.5 (7) |
C10—Fe1—C8—C7 | 81.4 (8) | C12—Fe2—C18—C17 | −75.7 (7) |
C5—Fe1—C8—C9 | 111.8 (10) | C15—Fe2—C18—C17 | 164.1 (9) |
C7—Fe1—C8—C9 | −118.8 (9) | C11—Fe2—C18—C17 | −38.0 (15) |
C6—Fe1—C8—C9 | −82.5 (8) | C16—Fe2—C18—C17 | 38.8 (6) |
C2—Fe1—C8—C9 | −173.6 (9) | C20—Fe2—C18—C17 | 82.7 (6) |
C3—Fe1—C8—C9 | 74 (5) | C13—Fe2—C18—C17 | −117.5 (6) |
C4—Fe1—C8—C9 | 74.2 (9) | C14—Fe2—C18—C17 | −159.3 (6) |
C1—Fe1—C8—C9 | 154.5 (9) | C19—Fe2—C18—C17 | 119.2 (8) |
C10—Fe1—C8—C9 | −37.4 (7) | Fe2—C18—C19—C20 | 59.5 (6) |
Fe1—C8—C9—C10 | 61.1 (7) | C17—C18—C19—Fe2 | −59.4 (6) |
C7—C8—C9—Fe1 | −60.8 (7) | C12—Fe2—C19—C20 | −162.5 (12) |
C5—Fe1—C9—C8 | −86.2 (9) | C15—Fe2—C19—C20 | 78.7 (7) |
C7—Fe1—C9—C8 | 36.8 (6) | C11—Fe2—C19—C20 | 40.9 (14) |
C6—Fe1—C9—C8 | 78.9 (7) | C16—Fe2—C19—C20 | −38.4 (6) |
C2—Fe1—C9—C8 | 140 (5) | C17—Fe2—C19—C20 | −81.9 (7) |
C3—Fe1—C9—C8 | −170.6 (9) | C13—Fe2—C19—C20 | 162.4 (6) |
C4—Fe1—C9—C8 | −130.3 (9) | C14—Fe2—C19—C20 | 121.4 (7) |
C1—Fe1—C9—C8 | −46.6 (13) | C18—Fe2—C19—C20 | −119.9 (9) |
C10—Fe1—C9—C8 | 118.3 (10) | C12—Fe2—C19—C18 | −42.7 (15) |
C5—Fe1—C9—C10 | 155.5 (10) | C15—Fe2—C19—C18 | −161.5 (6) |
C7—Fe1—C9—C10 | −81.5 (8) | C11—Fe2—C19—C18 | 160.7 (10) |
C6—Fe1—C9—C10 | −39.4 (8) | C16—Fe2—C19—C18 | 81.4 (6) |
C8—Fe1—C9—C10 | −118.3 (10) | C17—Fe2—C19—C18 | 38.0 (5) |
C2—Fe1—C9—C10 | 22 (6) | C20—Fe2—C19—C18 | 119.9 (9) |
C3—Fe1—C9—C10 | 71.1 (12) | C13—Fe2—C19—C18 | −77.8 (7) |
C4—Fe1—C9—C10 | 111.4 (10) | C14—Fe2—C19—C18 | −118.7 (6) |
C1—Fe1—C9—C10 | −164.9 (11) | Fe2—C19—C20—C16 | 60.5 (7) |
Fe1—C9—C10—C6 | 59.7 (7) | C18—C19—C20—Fe2 | −59.9 (6) |
C8—C9—C10—Fe1 | −60.6 (7) | C17—C16—C20—C19 | −1.1 (11) |
C7—C6—C10—C9 | 1.1 (12) | Fe2—C16—C20—C19 | −61.7 (6) |
Fe1—C6—C10—C9 | −60.8 (7) | C17—C16—C20—Fe2 | 60.6 (6) |
C7—C6—C10—Fe1 | 61.9 (7) | C12—Fe2—C20—C19 | 166.2 (9) |
C5—Fe1—C10—C9 | −48.8 (13) | C15—Fe2—C20—C19 | −120.5 (7) |
C7—Fe1—C10—C9 | 79.9 (8) | C11—Fe2—C20—C19 | −162.8 (7) |
C6—Fe1—C10—C9 | 117.1 (10) | C16—Fe2—C20—C19 | 117.9 (9) |
C8—Fe1—C10—C9 | 37.6 (7) | C17—Fe2—C20—C19 | 80.7 (6) |
C2—Fe1—C10—C9 | −177.0 (10) | C13—Fe2—C20—C19 | −48.4 (14) |
C3—Fe1—C10—C9 | −135.8 (10) | C14—Fe2—C20—C19 | −79.2 (7) |
C4—Fe1—C10—C9 | −90.2 (10) | C18—Fe2—C20—C19 | 36.5 (6) |
C1—Fe1—C10—C9 | 132 (3) | C12—Fe2—C20—C16 | 48.3 (13) |
C5—Fe1—C10—C6 | −165.8 (10) | C15—Fe2—C20—C16 | 121.6 (7) |
C7—Fe1—C10—C6 | −37.2 (6) | C11—Fe2—C20—C16 | 79.3 (8) |
C8—Fe1—C10—C6 | −79.5 (7) | C17—Fe2—C20—C16 | −37.3 (6) |
C2—Fe1—C10—C6 | 65.9 (11) | C13—Fe2—C20—C16 | −166.4 (10) |
C3—Fe1—C10—C6 | 107.2 (10) | C14—Fe2—C20—C16 | 162.9 (6) |
C4—Fe1—C10—C6 | 152.8 (10) | C18—Fe2—C20—C16 | −81.4 (7) |
C9—Fe1—C10—C6 | −117.1 (10) | C19—Fe2—C20—C16 | −117.9 (9) |
Symmetry codes: (i) −x+1, −y+2, −z; (ii) x, y, z+1. |
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