Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680603933X/ng2112sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680603933X/ng2112Isup2.hkl |
CCDC reference: 628013
Data collection: CAD-4 Software (Enraf–Nonius, 1989); cell refinement: CAD-4 Software; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: OSCAIL-X (McArdle, 2005) and SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: OSCAIL-X and SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.
{Fe2(C5H5)2(C22H20N4O2)] | Z = 1 |
Mr = 614.30 | F(000) = 318 |
Triclinic, P1 | Dx = 1.539 Mg m−3 |
a = 7.2520 (15) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 10.380 (2) Å | Cell parameters from 25 reflections |
c = 10.770 (2) Å | θ = 9–15° |
α = 61.260 (16)° | µ = 1.13 mm−1 |
β = 74.440 (14)° | T = 295 K |
γ = 70.02 (2)° | Block, orange |
V = 662.7 (3) Å3 | 0.18 × 0.15 × 0.11 mm |
Enraf–Nonius CAD-4 diffractometer | 2112 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.020 |
Graphite monochromator | θmax = 26.0°, θmin = 2.2° |
ω/2θ scans | h = 0→8 |
Absorption correction: ψ scan (North et al., 1968) | k = −12→12 |
Tmin = 0.810, Tmax = 0.877 | l = −12→13 |
2803 measured reflections | 3 standard reflections every 200 reflections |
2587 independent reflections | intensity decay: none |
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)] = 0.045 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.185 | H-atom parameters constrained |
S = 1.20 | w = 1/[σ2(Fo2) + (0.1093P)2 + 0.1691P] where P = (Fo2 + 2Fc2)/3 |
2587 reflections | (Δ/σ)max < 0.001 |
182 parameters | Δρmax = 0.62 e Å−3 |
0 restraints | Δρmin = −0.55 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 | 0.72501 (9) | 0.86885 (6) | 0.24083 (6) | 0.0358 (3) | |
O1 | 0.1611 (5) | 0.5987 (4) | 0.9364 (3) | 0.0492 (8) | |
N2 | 0.5135 (5) | 0.6221 (4) | 0.6350 (3) | 0.0320 (7) | |
N1 | 0.3305 (5) | 0.6353 (4) | 0.7161 (3) | 0.0303 (7) | |
C1 | 0.8499 (12) | 1.0458 (7) | 0.1635 (9) | 0.089 (3) | |
H1 | 0.9919 | 1.0395 | 0.1365 | 0.107* | |
C5 | 0.7176 (13) | 1.0764 (6) | 0.0712 (7) | 0.080 (2) | |
H5 | 0.7509 | 1.0965 | −0.0298 | 0.096* | |
C4 | 0.5317 (11) | 1.0737 (6) | 0.1501 (8) | 0.0779 (19) | |
H4 | 0.4102 | 1.0914 | 0.1144 | 0.093* | |
C3 | 0.5485 (9) | 1.0389 (6) | 0.2920 (6) | 0.0660 (17) | |
H3 | 0.4403 | 1.0297 | 0.3707 | 0.079* | |
C2 | 0.7482 (10) | 1.0223 (6) | 0.2994 (7) | 0.0670 (16) | |
H2 | 0.8037 | 0.9995 | 0.3834 | 0.080* | |
C10 | 0.8063 (8) | 0.7051 (5) | 0.1687 (5) | 0.0512 (13) | |
H10 | 0.8388 | 0.7225 | 0.0684 | 0.061* | |
C9 | 0.6149 (8) | 0.7090 (5) | 0.2474 (5) | 0.0429 (10) | |
H9 | 0.4927 | 0.7275 | 0.2122 | 0.051* | |
C8 | 0.6337 (6) | 0.6796 (4) | 0.3882 (4) | 0.0321 (9) | |
C7 | 0.8333 (7) | 0.6590 (5) | 0.3929 (5) | 0.0393 (10) | |
H7 | 0.8894 | 0.6379 | 0.4760 | 0.047* | |
C6 | 0.9411 (7) | 0.6740 (5) | 0.2577 (5) | 0.0458 (11) | |
H6 | 1.0836 | 0.6653 | 0.2309 | 0.055* | |
C11 | 0.4727 (6) | 0.6756 (4) | 0.5040 (4) | 0.0306 (8) | |
C12 | 0.2666 (7) | 0.7207 (5) | 0.4999 (5) | 0.0407 (10) | |
H12 | 0.2036 | 0.7603 | 0.4197 | 0.049* | |
C13 | 0.1779 (6) | 0.6953 (5) | 0.6347 (5) | 0.0347 (9) | |
C14 | −0.0363 (6) | 0.7204 (6) | 0.6944 (6) | 0.0497 (12) | |
H14A | −0.0689 | 0.7933 | 0.7325 | 0.075* | |
H14B | −0.0614 | 0.6262 | 0.7689 | 0.075* | |
H14C | −0.1158 | 0.7578 | 0.6200 | 0.075* | |
C15 | 0.3194 (6) | 0.5863 (5) | 0.8646 (4) | 0.0338 (9) | |
C16 | 0.5145 (6) | 0.5215 (5) | 0.9215 (4) | 0.0392 (10) | |
H16A | 0.5925 | 0.5959 | 0.8715 | 0.047* | |
H16B | 0.5865 | 0.4326 | 0.9045 | 0.047* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0458 (4) | 0.0265 (4) | 0.0268 (4) | −0.0087 (3) | 0.0062 (3) | −0.0109 (3) |
O1 | 0.0358 (16) | 0.077 (2) | 0.0324 (17) | −0.0197 (16) | 0.0105 (13) | −0.0250 (16) |
N2 | 0.0298 (16) | 0.0352 (17) | 0.0259 (16) | −0.0099 (13) | 0.0030 (13) | −0.0114 (14) |
N1 | 0.0305 (16) | 0.0339 (17) | 0.0230 (15) | −0.0103 (13) | 0.0051 (13) | −0.0125 (13) |
C1 | 0.090 (5) | 0.046 (3) | 0.121 (7) | −0.041 (3) | 0.047 (5) | −0.042 (4) |
C5 | 0.119 (6) | 0.031 (3) | 0.049 (3) | −0.013 (3) | 0.026 (4) | −0.009 (2) |
C4 | 0.084 (4) | 0.040 (3) | 0.084 (5) | 0.021 (3) | −0.026 (4) | −0.023 (3) |
C3 | 0.074 (4) | 0.037 (3) | 0.062 (4) | −0.001 (2) | 0.020 (3) | −0.026 (3) |
C2 | 0.088 (4) | 0.044 (3) | 0.074 (4) | −0.019 (3) | 0.004 (3) | −0.034 (3) |
C10 | 0.079 (4) | 0.040 (2) | 0.027 (2) | −0.016 (2) | 0.012 (2) | −0.0186 (19) |
C9 | 0.061 (3) | 0.044 (2) | 0.029 (2) | −0.017 (2) | −0.0041 (19) | −0.0171 (19) |
C8 | 0.045 (2) | 0.0271 (19) | 0.0227 (18) | −0.0129 (17) | 0.0005 (16) | −0.0097 (15) |
C7 | 0.043 (2) | 0.032 (2) | 0.033 (2) | −0.0009 (17) | −0.0066 (17) | −0.0109 (17) |
C6 | 0.046 (2) | 0.036 (2) | 0.042 (3) | −0.0044 (19) | 0.009 (2) | −0.018 (2) |
C11 | 0.038 (2) | 0.0310 (19) | 0.0238 (18) | −0.0136 (16) | −0.0006 (16) | −0.0111 (15) |
C12 | 0.045 (2) | 0.046 (2) | 0.032 (2) | −0.0108 (19) | −0.0093 (18) | −0.0156 (19) |
C13 | 0.028 (2) | 0.035 (2) | 0.038 (2) | −0.0079 (16) | −0.0021 (16) | −0.0145 (18) |
C14 | 0.028 (2) | 0.069 (3) | 0.053 (3) | −0.009 (2) | −0.0021 (19) | −0.031 (3) |
C15 | 0.042 (2) | 0.036 (2) | 0.027 (2) | −0.0176 (17) | 0.0041 (17) | −0.0145 (17) |
C16 | 0.040 (2) | 0.050 (3) | 0.025 (2) | −0.0134 (19) | 0.0034 (17) | −0.0161 (18) |
Fe1—C3 | 2.018 (5) | C3—H3 | 0.9800 |
Fe1—C7 | 2.033 (4) | C2—H2 | 0.9800 |
Fe1—C1 | 2.037 (6) | C10—C6 | 1.403 (8) |
Fe1—C4 | 2.035 (5) | C10—C9 | 1.418 (7) |
Fe1—C8 | 2.035 (4) | C10—H10 | 0.9800 |
Fe1—C9 | 2.039 (5) | C9—C8 | 1.431 (6) |
Fe1—C5 | 2.042 (5) | C9—H9 | 0.9800 |
Fe1—C2 | 2.042 (6) | C8—C7 | 1.401 (6) |
Fe1—C10 | 2.044 (5) | C8—C11 | 1.457 (5) |
Fe1—C6 | 2.052 (4) | C7—C6 | 1.418 (6) |
O1—C15 | 1.204 (5) | C7—H7 | 0.9800 |
N1—C13 | 1.380 (5) | C6—H6 | 0.9800 |
N1—C15 | 1.415 (5) | C11—C12 | 1.412 (6) |
N2—N1 | 1.382 (4) | C12—C13 | 1.356 (6) |
N2—C11 | 1.320 (5) | C12—H12 | 0.9300 |
C1—C2 | 1.396 (9) | C13—C14 | 1.498 (6) |
C1—C5 | 1.418 (11) | C14—H14A | 0.9600 |
C1—H1 | 0.9800 | C14—H14B | 0.9600 |
C5—C4 | 1.389 (10) | C14—H14C | 0.9600 |
C5—H5 | 0.9800 | C15—C16 | 1.499 (6) |
C4—C3 | 1.422 (9) | C16—C16i | 1.500 (8) |
C4—H4 | 0.9800 | C16—H16A | 0.9700 |
C3—C2 | 1.418 (9) | C16—H16B | 0.9700 |
C3—Fe1—C7 | 121.7 (2) | C2—C3—C4 | 108.3 (6) |
C3—Fe1—C1 | 67.6 (3) | C2—C3—Fe1 | 70.5 (3) |
C7—Fe1—C1 | 123.6 (3) | C4—C3—Fe1 | 70.1 (3) |
C3—Fe1—C4 | 41.1 (3) | C2—C3—H3 | 125.9 |
C7—Fe1—C4 | 158.2 (3) | C4—C3—H3 | 125.9 |
C1—Fe1—C4 | 67.5 (3) | Fe1—C3—H3 | 125.9 |
C3—Fe1—C8 | 105.6 (2) | C1—C2—C3 | 106.6 (7) |
C7—Fe1—C8 | 40.28 (18) | C1—C2—Fe1 | 69.8 (4) |
C1—Fe1—C8 | 157.5 (3) | C3—C2—Fe1 | 68.6 (3) |
C4—Fe1—C8 | 122.4 (3) | C1—C2—H2 | 126.7 |
C3—Fe1—C9 | 121.4 (2) | C3—C2—H2 | 126.7 |
C7—Fe1—C9 | 68.27 (19) | Fe1—C2—H2 | 126.7 |
C1—Fe1—C9 | 160.8 (3) | C6—C10—C9 | 108.7 (4) |
C4—Fe1—C9 | 107.2 (3) | C6—C10—Fe1 | 70.3 (3) |
C8—Fe1—C9 | 41.13 (16) | C9—C10—Fe1 | 69.5 (3) |
C3—Fe1—C5 | 68.2 (2) | C6—C10—H10 | 125.6 |
C7—Fe1—C5 | 160.2 (3) | C9—C10—H10 | 125.6 |
C1—Fe1—C5 | 40.7 (3) | Fe1—C10—H10 | 125.6 |
C4—Fe1—C5 | 39.8 (3) | C10—C9—C8 | 107.3 (4) |
C8—Fe1—C5 | 158.8 (3) | C10—C9—Fe1 | 69.9 (3) |
C9—Fe1—C5 | 123.5 (3) | C8—C9—Fe1 | 69.3 (2) |
C3—Fe1—C2 | 40.9 (3) | C10—C9—H9 | 126.4 |
C7—Fe1—C2 | 106.8 (2) | C8—C9—H9 | 126.4 |
C1—Fe1—C2 | 40.0 (3) | Fe1—C9—H9 | 126.4 |
C4—Fe1—C2 | 68.7 (3) | C7—C8—C9 | 107.6 (4) |
C8—Fe1—C2 | 120.9 (2) | C7—C8—C11 | 126.5 (4) |
C9—Fe1—C2 | 157.4 (2) | C9—C8—C11 | 125.9 (4) |
C5—Fe1—C2 | 68.5 (3) | C7—C8—Fe1 | 69.8 (2) |
C3—Fe1—C10 | 158.6 (3) | C9—C8—Fe1 | 69.6 (2) |
C7—Fe1—C10 | 67.84 (19) | C11—C8—Fe1 | 125.0 (3) |
C1—Fe1—C10 | 125.6 (2) | C8—C7—C6 | 108.9 (4) |
C4—Fe1—C10 | 123.5 (3) | C8—C7—Fe1 | 70.0 (2) |
C8—Fe1—C10 | 68.44 (17) | C6—C7—Fe1 | 70.4 (3) |
C9—Fe1—C10 | 40.6 (2) | C8—C7—H7 | 125.6 |
C5—Fe1—C10 | 109.6 (2) | C6—C7—H7 | 125.6 |
C2—Fe1—C10 | 159.9 (3) | Fe1—C7—H7 | 125.6 |
C3—Fe1—C6 | 158.7 (3) | C10—C6—C7 | 107.5 (4) |
C7—Fe1—C6 | 40.61 (17) | C10—C6—Fe1 | 69.7 (3) |
C1—Fe1—C6 | 109.9 (3) | C7—C6—Fe1 | 69.0 (2) |
C4—Fe1—C6 | 159.4 (3) | C10—C6—H6 | 126.2 |
C8—Fe1—C6 | 68.25 (17) | C7—C6—H6 | 126.2 |
C9—Fe1—C6 | 68.1 (2) | Fe1—C6—H6 | 126.2 |
C5—Fe1—C6 | 124.7 (2) | N2—C11—C12 | 111.2 (3) |
C2—Fe1—C6 | 123.4 (3) | N2—C11—C8 | 119.6 (4) |
C10—Fe1—C6 | 40.0 (2) | C12—C11—C8 | 129.2 (4) |
C11—N2—N1 | 104.5 (3) | C13—C12—C11 | 107.1 (4) |
N2—N1—C13 | 111.9 (3) | C13—C12—H12 | 126.5 |
N2—N1—C15 | 119.6 (3) | C11—C12—H12 | 126.5 |
C13—N1—C15 | 128.5 (3) | C12—C13—N1 | 105.4 (3) |
C2—C1—C5 | 109.7 (6) | C12—C13—C14 | 130.9 (4) |
C2—C1—Fe1 | 70.2 (3) | N1—C13—C14 | 123.7 (4) |
C5—C1—Fe1 | 69.9 (4) | C13—C14—H14A | 109.5 |
C2—C1—H1 | 125.2 | C13—C14—H14B | 109.5 |
C5—C1—H1 | 125.2 | H14A—C14—H14B | 109.5 |
Fe1—C1—H1 | 125.2 | C13—C14—H14C | 109.5 |
C4—C5—C1 | 107.3 (6) | H14A—C14—H14C | 109.5 |
C4—C5—Fe1 | 69.8 (3) | H14B—C14—H14C | 109.5 |
C1—C5—Fe1 | 69.5 (3) | O1—C15—N1 | 120.3 (4) |
C4—C5—H5 | 126.3 | O1—C15—C16 | 124.4 (4) |
C1—C5—H5 | 126.3 | N1—C15—C16 | 115.3 (3) |
Fe1—C5—H5 | 126.3 | C15—C16—C16i | 110.8 (4) |
C5—C4—C3 | 108.2 (7) | C15—C16—H16A | 109.5 |
C5—C4—Fe1 | 70.4 (3) | C16i—C16—H16A | 109.5 |
C3—C4—Fe1 | 68.8 (3) | C15—C16—H16B | 109.5 |
C5—C4—H4 | 125.9 | C16i—C16—H16B | 109.5 |
C3—C4—H4 | 125.9 | H16A—C16—H16B | 108.1 |
Fe1—C4—H4 | 125.9 | ||
C11—N2—N1—C13 | 0.7 (4) | Fe1—C10—C9—C8 | −59.4 (3) |
C11—N2—N1—C15 | 179.5 (3) | C6—C10—C9—Fe1 | 59.5 (3) |
C3—Fe1—C1—C2 | 38.7 (4) | C3—Fe1—C9—C10 | 164.4 (3) |
C7—Fe1—C1—C2 | −75.4 (5) | C7—Fe1—C9—C10 | −80.8 (3) |
C4—Fe1—C1—C2 | 83.3 (5) | C1—Fe1—C9—C10 | 51.0 (9) |
C8—Fe1—C1—C2 | −37.6 (9) | C4—Fe1—C9—C10 | 121.7 (3) |
C9—Fe1—C1—C2 | 160.8 (6) | C8—Fe1—C9—C10 | −118.5 (4) |
C5—Fe1—C1—C2 | 120.8 (6) | C5—Fe1—C9—C10 | 81.1 (4) |
C10—Fe1—C1—C2 | −160.7 (4) | C2—Fe1—C9—C10 | −162.4 (6) |
C6—Fe1—C1—C2 | −118.6 (4) | C6—Fe1—C9—C10 | −37.0 (3) |
C3—Fe1—C1—C5 | −82.2 (4) | C3—Fe1—C9—C8 | −77.2 (3) |
C7—Fe1—C1—C5 | 163.7 (3) | C7—Fe1—C9—C8 | 37.6 (3) |
C4—Fe1—C1—C5 | −37.6 (4) | C1—Fe1—C9—C8 | 169.5 (8) |
C8—Fe1—C1—C5 | −158.4 (5) | C4—Fe1—C9—C8 | −119.8 (3) |
C9—Fe1—C1—C5 | 39.9 (9) | C5—Fe1—C9—C8 | −160.4 (3) |
C2—Fe1—C1—C5 | −120.8 (6) | C2—Fe1—C9—C8 | −43.9 (7) |
C10—Fe1—C1—C5 | 78.4 (5) | C10—Fe1—C9—C8 | 118.5 (4) |
C6—Fe1—C1—C5 | 120.5 (4) | C6—Fe1—C9—C8 | 81.5 (3) |
C2—C1—C5—C4 | 0.7 (7) | C10—C9—C8—C7 | 0.1 (5) |
Fe1—C1—C5—C4 | 59.8 (4) | Fe1—C9—C8—C7 | −59.7 (3) |
C2—C1—C5—Fe1 | −59.1 (4) | C10—C9—C8—C11 | 178.9 (4) |
C3—Fe1—C5—C4 | −38.0 (5) | Fe1—C9—C8—C11 | 119.1 (4) |
C7—Fe1—C5—C4 | −162.0 (6) | C10—C9—C8—Fe1 | 59.8 (3) |
C1—Fe1—C5—C4 | −118.5 (6) | C3—Fe1—C8—C7 | −121.0 (3) |
C8—Fe1—C5—C4 | 38.6 (8) | C1—Fe1—C8—C7 | −52.2 (7) |
C9—Fe1—C5—C4 | 76.2 (5) | C4—Fe1—C8—C7 | −162.4 (3) |
C2—Fe1—C5—C4 | −82.1 (5) | C9—Fe1—C8—C7 | 118.7 (4) |
C10—Fe1—C5—C4 | 119.3 (5) | C5—Fe1—C8—C7 | 169.4 (5) |
C6—Fe1—C5—C4 | 161.3 (4) | C2—Fe1—C8—C7 | −79.4 (3) |
C3—Fe1—C5—C1 | 80.5 (4) | C10—Fe1—C8—C7 | 80.7 (3) |
C7—Fe1—C5—C1 | −43.5 (8) | C6—Fe1—C8—C7 | 37.5 (3) |
C4—Fe1—C5—C1 | 118.5 (6) | C3—Fe1—C8—C9 | 120.3 (3) |
C8—Fe1—C5—C1 | 157.1 (5) | C7—Fe1—C8—C9 | −118.7 (4) |
C9—Fe1—C5—C1 | −165.3 (4) | C1—Fe1—C8—C9 | −170.9 (6) |
C2—Fe1—C5—C1 | 36.4 (4) | C4—Fe1—C8—C9 | 78.9 (4) |
C10—Fe1—C5—C1 | −122.3 (4) | C5—Fe1—C8—C9 | 50.7 (6) |
C6—Fe1—C5—C1 | −80.2 (4) | C2—Fe1—C8—C9 | 161.9 (3) |
C1—C5—C4—C3 | −1.0 (7) | C10—Fe1—C8—C9 | −38.0 (3) |
Fe1—C5—C4—C3 | 58.6 (4) | C6—Fe1—C8—C9 | −81.2 (3) |
C1—C5—C4—Fe1 | −59.6 (4) | C3—Fe1—C8—C11 | 0.1 (4) |
C3—Fe1—C4—C5 | 119.6 (7) | C7—Fe1—C8—C11 | 121.1 (4) |
C7—Fe1—C4—C5 | 163.6 (6) | C1—Fe1—C8—C11 | 68.9 (7) |
C1—Fe1—C4—C5 | 38.3 (5) | C4—Fe1—C8—C11 | −41.3 (5) |
C8—Fe1—C4—C5 | −164.5 (4) | C9—Fe1—C8—C11 | −120.2 (5) |
C9—Fe1—C4—C5 | −122.0 (5) | C5—Fe1—C8—C11 | −69.5 (7) |
C2—Fe1—C4—C5 | 81.6 (5) | C2—Fe1—C8—C11 | 41.7 (4) |
C10—Fe1—C4—C5 | −80.4 (5) | C10—Fe1—C8—C11 | −158.2 (4) |
C6—Fe1—C4—C5 | −48.5 (10) | C6—Fe1—C8—C11 | 158.6 (4) |
C7—Fe1—C4—C3 | 44.0 (9) | C9—C8—C7—C6 | −0.3 (5) |
C1—Fe1—C4—C3 | −81.3 (5) | C11—C8—C7—C6 | −179.1 (4) |
C8—Fe1—C4—C3 | 75.9 (5) | Fe1—C8—C7—C6 | −59.9 (3) |
C9—Fe1—C4—C3 | 118.4 (4) | C9—C8—C7—Fe1 | 59.5 (3) |
C5—Fe1—C4—C3 | −119.6 (7) | C11—C8—C7—Fe1 | −119.2 (4) |
C2—Fe1—C4—C3 | −38.0 (4) | C3—Fe1—C7—C8 | 76.1 (4) |
C10—Fe1—C4—C3 | 160.0 (4) | C1—Fe1—C7—C8 | 158.7 (3) |
C6—Fe1—C4—C3 | −168.0 (6) | C4—Fe1—C7—C8 | 43.6 (8) |
C5—C4—C3—C2 | 0.9 (7) | C9—Fe1—C7—C8 | −38.4 (2) |
Fe1—C4—C3—C2 | 60.4 (4) | C5—Fe1—C7—C8 | −168.7 (7) |
C5—C4—C3—Fe1 | −59.6 (4) | C2—Fe1—C7—C8 | 118.2 (3) |
C7—Fe1—C3—C2 | 78.8 (4) | C10—Fe1—C7—C8 | −82.4 (3) |
C1—Fe1—C3—C2 | −37.9 (4) | C6—Fe1—C7—C8 | −119.7 (4) |
C4—Fe1—C3—C2 | −118.8 (6) | C3—Fe1—C7—C6 | −164.2 (3) |
C8—Fe1—C3—C2 | 119.5 (4) | C1—Fe1—C7—C6 | −81.5 (4) |
C9—Fe1—C3—C2 | 161.2 (3) | C4—Fe1—C7—C6 | 163.3 (7) |
C5—Fe1—C3—C2 | −81.9 (4) | C8—Fe1—C7—C6 | 119.7 (4) |
C10—Fe1—C3—C2 | −170.1 (5) | C9—Fe1—C7—C6 | 81.3 (3) |
C6—Fe1—C3—C2 | 49.6 (7) | C5—Fe1—C7—C6 | −48.9 (8) |
C7—Fe1—C3—C4 | −162.4 (4) | C2—Fe1—C7—C6 | −122.1 (3) |
C1—Fe1—C3—C4 | 80.9 (5) | C10—Fe1—C7—C6 | 37.4 (3) |
C8—Fe1—C3—C4 | −121.7 (4) | C9—C10—C6—C7 | −0.3 (5) |
C9—Fe1—C3—C4 | −80.0 (5) | Fe1—C10—C6—C7 | 58.7 (3) |
C5—Fe1—C3—C4 | 36.9 (5) | C9—C10—C6—Fe1 | −59.1 (3) |
C2—Fe1—C3—C4 | 118.8 (6) | C8—C7—C6—C10 | 0.4 (5) |
C10—Fe1—C3—C4 | −51.3 (7) | Fe1—C7—C6—C10 | −59.2 (3) |
C6—Fe1—C3—C4 | 168.4 (5) | C8—C7—C6—Fe1 | 59.6 (3) |
C5—C1—C2—C3 | −0.2 (6) | C3—Fe1—C6—C10 | 158.7 (6) |
Fe1—C1—C2—C3 | −59.0 (4) | C7—Fe1—C6—C10 | 119.1 (4) |
C5—C1—C2—Fe1 | 58.9 (4) | C1—Fe1—C6—C10 | −122.0 (4) |
C4—C3—C2—C1 | −0.4 (6) | C4—Fe1—C6—C10 | −43.3 (8) |
Fe1—C3—C2—C1 | 59.8 (4) | C8—Fe1—C6—C10 | 81.9 (3) |
C4—C3—C2—Fe1 | −60.2 (4) | C9—Fe1—C6—C10 | 37.5 (3) |
C3—Fe1—C2—C1 | −118.0 (6) | C5—Fe1—C6—C10 | −78.9 (4) |
C7—Fe1—C2—C1 | 122.7 (5) | C2—Fe1—C6—C10 | −164.6 (3) |
C4—Fe1—C2—C1 | −79.9 (5) | C3—Fe1—C6—C7 | 39.6 (7) |
C8—Fe1—C2—C1 | 164.3 (5) | C1—Fe1—C6—C7 | 118.8 (4) |
C9—Fe1—C2—C1 | −163.6 (6) | C4—Fe1—C6—C7 | −162.4 (7) |
C5—Fe1—C2—C1 | −37.0 (5) | C8—Fe1—C6—C7 | −37.2 (3) |
C10—Fe1—C2—C1 | 51.4 (9) | C9—Fe1—C6—C7 | −81.7 (3) |
C6—Fe1—C2—C1 | 81.3 (5) | C5—Fe1—C6—C7 | 161.9 (4) |
C7—Fe1—C2—C3 | −119.3 (4) | C2—Fe1—C6—C7 | 76.3 (4) |
C1—Fe1—C2—C3 | 118.0 (6) | C10—Fe1—C6—C7 | −119.1 (4) |
C4—Fe1—C2—C3 | 38.2 (4) | N1—N2—C11—C12 | −1.0 (4) |
C8—Fe1—C2—C3 | −77.7 (4) | N1—N2—C11—C8 | 179.7 (3) |
C9—Fe1—C2—C3 | −45.6 (8) | C7—C8—C11—N2 | −13.0 (6) |
C5—Fe1—C2—C3 | 81.1 (4) | C9—C8—C11—N2 | 168.5 (4) |
C10—Fe1—C2—C3 | 169.4 (5) | Fe1—C8—C11—N2 | −102.6 (4) |
C6—Fe1—C2—C3 | −160.6 (3) | C7—C8—C11—C12 | 167.8 (4) |
C3—Fe1—C10—C6 | −158.9 (5) | C9—C8—C11—C12 | −10.7 (7) |
C7—Fe1—C10—C6 | −37.9 (3) | Fe1—C8—C11—C12 | 78.2 (5) |
C1—Fe1—C10—C6 | 78.5 (5) | N2—C11—C12—C13 | 0.9 (5) |
C4—Fe1—C10—C6 | 163.2 (3) | C8—C11—C12—C13 | −179.9 (4) |
C8—Fe1—C10—C6 | −81.4 (3) | C11—C12—C13—N1 | −0.4 (5) |
C9—Fe1—C10—C6 | −119.9 (4) | C11—C12—C13—C14 | −179.6 (5) |
C5—Fe1—C10—C6 | 121.1 (4) | N2—N1—C13—C12 | −0.2 (5) |
C2—Fe1—C10—C6 | 40.3 (7) | C15—N1—C13—C12 | −178.8 (4) |
C3—Fe1—C10—C9 | −39.0 (6) | N2—N1—C13—C14 | 179.1 (4) |
C7—Fe1—C10—C9 | 82.0 (3) | C15—N1—C13—C14 | 0.4 (7) |
C1—Fe1—C10—C9 | −161.7 (4) | N2—N1—C15—O1 | 179.2 (4) |
C4—Fe1—C10—C9 | −76.9 (4) | C13—N1—C15—O1 | −2.2 (6) |
C8—Fe1—C10—C9 | 38.4 (3) | N2—N1—C15—C16 | −0.5 (5) |
C5—Fe1—C10—C9 | −119.0 (4) | C13—N1—C15—C16 | 178.1 (4) |
C2—Fe1—C10—C9 | 160.2 (6) | O1—C15—C16—C16i | −1.6 (7) |
C6—Fe1—C10—C9 | 119.9 (4) | N1—C15—C16—C16i | 178.0 (4) |
C6—C10—C9—C8 | 0.1 (5) |
Symmetry code: (i) −x+1, −y+1, −z+2. |