Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804025620/kp6004sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804025620/kp6004Isup2.hkl |
CCDC reference: 225121
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1999); software used to prepare material for publication: SHELXTL.
[Fe(C5H5)(C17H18N3O)] | F(000) = 840 |
Mr = 401.28 | Dx = 1.392 Mg m−3 |
Orthorhombic, Pca21 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P2c-2ac | Cell parameters from 840 reflections |
a = 10.165 (5) Å | θ = 2.5–22.4° |
b = 14.205 (7) Å | µ = 0.80 mm−1 |
c = 13.262 (6) Å | T = 293 K |
V = 1915.0 (16) Å3 | Prism, yellow |
Z = 4 | 0.32 × 0.25 × 0.20 mm |
Bruker SMART CCD area-detector diffractometer | 3690 independent reflections |
Radiation source: fine-focus sealed tube | 2665 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.049 |
φ and ω scans | θmax = 26.5°, θmin = 1.4° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −12→12 |
Tmin = 0.715, Tmax = 0.851 | k = −12→17 |
10319 measured reflections | l = −16→13 |
Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.042 | w = 1/[σ2(Fo2) + (0.0506P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.108 | (Δ/σ)max < 0.001 |
S = 1.06 | Δρmax = 0.24 e Å−3 |
3690 reflections | Δρmin = −0.20 e Å−3 |
247 parameters | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
1 restraint | Extinction coefficient: 0.0036 (6) |
Primary atom site location: structure-invariant direct methods | Absolute structure: Flack (1983) |
Secondary atom site location: difference Fourier map | Absolute structure parameter: 0.02 (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 | Occ. (<1) | |
Fe1 | 0.05309 (5) | 0.61332 (4) | 0.80591 (6) | 0.03933 (17) | |
N1 | 0.0026 (3) | 0.8984 (2) | 1.0992 (2) | 0.0368 (7) | |
N2 | −0.0936 (4) | 0.9498 (3) | 1.0553 (3) | 0.0506 (10) | |
N3 | 0.0272 (5) | 1.0409 (3) | 1.1561 (3) | 0.0656 (12) | |
O1 | 0.1646 (3) | 0.8160 (2) | 0.9464 (2) | 0.0565 (8) | |
C1 | 0.0281 (4) | 0.6793 (3) | 0.9414 (3) | 0.0375 (11) | |
C2 | 0.1308 (5) | 0.6119 (3) | 0.9485 (3) | 0.0437 (11) | |
H2 | 0.2175 | 0.6245 | 0.9666 | 0.052* | |
C3 | 0.0793 (5) | 0.5228 (4) | 0.9236 (4) | 0.0521 (13) | |
H3 | 0.1263 | 0.4666 | 0.9218 | 0.062* | |
C4 | −0.0546 (5) | 0.5333 (3) | 0.9021 (4) | 0.0495 (12) | |
H4 | −0.1122 | 0.4853 | 0.8838 | 0.059* | |
C5 | −0.0874 (5) | 0.6297 (3) | 0.9130 (4) | 0.0426 (11) | |
H5 | −0.1703 | 0.6560 | 0.9032 | 0.051* | |
C6 | 0.0323 (11) | 0.7121 (4) | 0.6937 (4) | 0.064 (4) | 0.64 (2) |
H6 | −0.0100 | 0.7699 | 0.6990 | 0.077* | 0.64 (2) |
C7 | 0.1658 (9) | 0.6951 (9) | 0.7120 (4) | 0.063 (3) | 0.64 (2) |
H7 | 0.2277 | 0.7397 | 0.7316 | 0.075* | 0.64 (2) |
C8 | 0.1897 (8) | 0.5994 (10) | 0.6956 (4) | 0.060 (3) | 0.64 (2) |
H8 | 0.2703 | 0.5691 | 0.7024 | 0.072* | 0.64 (2) |
C9 | 0.0710 (14) | 0.5572 (4) | 0.6672 (4) | 0.066 (3) | 0.64 (2) |
H9 | 0.0589 | 0.4939 | 0.6518 | 0.080* | 0.64 (2) |
C10 | −0.0262 (6) | 0.6268 (7) | 0.6660 (4) | 0.062 (4) | 0.64 (2) |
H10 | −0.1143 | 0.6180 | 0.6496 | 0.074* | 0.64 (2) |
C6' | 0.0693 (10) | 0.7106 (4) | 0.6956 (4) | 0.051 (6) | 0.36 (2) |
H6' | 0.0626 | 0.7754 | 0.7045 | 0.062* | 0.36 (2) |
C7' | 0.1863 (5) | 0.6562 (10) | 0.7047 (4) | 0.065 (6) | 0.36 (2) |
H7' | 0.2695 | 0.6791 | 0.7205 | 0.078* | 0.36 (2) |
C8' | 0.1536 (13) | 0.5603 (8) | 0.6854 (4) | 0.043 (4) | 0.36 (2) |
H8' | 0.2117 | 0.5098 | 0.6863 | 0.052* | 0.36 (2) |
C9' | 0.0164 (14) | 0.5556 (5) | 0.6644 (4) | 0.047 (5) | 0.36 (2) |
H9' | −0.0309 | 0.5014 | 0.6492 | 0.056* | 0.36 (2) |
C10' | −0.0357 (6) | 0.6485 (8) | 0.6707 (4) | 0.062 (7) | 0.36 (2) |
H10' | −0.1230 | 0.6656 | 0.6604 | 0.074* | 0.36 (2) |
C11 | 0.0374 (4) | 0.7819 (3) | 0.9679 (3) | 0.0389 (10) | |
H11 | −0.0275 | 0.8174 | 0.9287 | 0.047* | |
C12 | 0.0133 (4) | 0.7980 (3) | 1.0805 (3) | 0.0373 (9) | |
H12 | 0.0919 | 0.7760 | 1.1162 | 0.045* | |
C13 | −0.1040 (4) | 0.7463 (3) | 1.1263 (3) | 0.0458 (11) | |
H13A | −0.1843 | 0.7672 | 1.0937 | 0.055* | |
H13B | −0.0948 | 0.6792 | 1.1147 | 0.055* | |
C14 | −0.1129 (4) | 0.7650 (3) | 1.2377 (3) | 0.0396 (10) | |
C15 | −0.0334 (4) | 0.7181 (3) | 1.3045 (5) | 0.0587 (11) | |
H15 | 0.0215 | 0.6702 | 1.2816 | 0.070* | |
C16 | −0.0346 (6) | 0.7418 (5) | 1.4057 (4) | 0.0787 (18) | |
H16 | 0.0215 | 0.7109 | 1.4502 | 0.094* | |
C17 | −0.1151 (7) | 0.8083 (5) | 1.4400 (5) | 0.085 (2) | |
H17 | −0.1147 | 0.8235 | 1.5082 | 0.102* | |
C18 | −0.1980 (7) | 0.8543 (4) | 1.3764 (5) | 0.076 (2) | |
H18 | −0.2548 | 0.9002 | 1.4010 | 0.092* | |
C19 | −0.1971 (5) | 0.8322 (3) | 1.2743 (3) | 0.0532 (14) | |
H19 | −0.2539 | 0.8633 | 1.2305 | 0.064* | |
C20 | 0.0710 (5) | 0.9553 (4) | 1.1584 (4) | 0.0568 (13) | |
H20 | 0.1423 | 0.9360 | 1.1971 | 0.068* | |
C21 | −0.0732 (5) | 1.0339 (3) | 1.0920 (4) | 0.0547 (12) | |
H21 | −0.1251 | 1.0853 | 1.0745 | 0.066* | |
C22 | 0.1710 (7) | 0.8947 (5) | 0.8841 (5) | 0.098 (2) | |
H22A | 0.1264 | 0.8816 | 0.8218 | 0.146* | |
H22B | 0.2614 | 0.9097 | 0.8705 | 0.146* | |
H22C | 0.1296 | 0.9472 | 0.9169 | 0.146* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Fe1 | 0.0481 (3) | 0.0383 (3) | 0.0315 (2) | 0.0011 (3) | 0.0045 (4) | −0.0012 (4) |
N1 | 0.0404 (17) | 0.040 (2) | 0.0302 (17) | −0.0034 (16) | −0.0018 (14) | −0.0024 (16) |
N2 | 0.054 (2) | 0.040 (2) | 0.058 (2) | 0.0012 (18) | −0.0125 (18) | −0.006 (2) |
N3 | 0.085 (3) | 0.043 (3) | 0.069 (3) | −0.009 (2) | −0.012 (2) | −0.018 (2) |
O1 | 0.0612 (19) | 0.054 (2) | 0.0542 (19) | −0.0144 (16) | 0.0148 (15) | 0.0048 (17) |
C1 | 0.046 (3) | 0.041 (3) | 0.025 (2) | −0.003 (2) | 0.0054 (19) | −0.001 (2) |
C2 | 0.049 (3) | 0.049 (3) | 0.034 (2) | 0.009 (2) | 0.001 (2) | 0.002 (2) |
C3 | 0.075 (4) | 0.036 (3) | 0.045 (3) | 0.014 (2) | 0.008 (3) | 0.007 (2) |
C4 | 0.061 (3) | 0.039 (3) | 0.048 (3) | −0.010 (2) | 0.015 (2) | −0.003 (2) |
C5 | 0.045 (3) | 0.045 (3) | 0.038 (2) | 0.003 (2) | 0.008 (2) | −0.005 (2) |
C6 | 0.077 (6) | 0.064 (7) | 0.052 (6) | −0.003 (5) | 0.001 (4) | 0.013 (5) |
C7 | 0.084 (6) | 0.052 (6) | 0.051 (5) | −0.013 (5) | 0.030 (5) | 0.001 (4) |
C8 | 0.067 (5) | 0.063 (8) | 0.051 (5) | −0.001 (5) | 0.022 (4) | −0.009 (5) |
C9 | 0.088 (8) | 0.066 (6) | 0.045 (5) | 0.005 (5) | −0.005 (5) | −0.018 (5) |
C10 | 0.076 (7) | 0.072 (6) | 0.037 (5) | 0.005 (5) | −0.018 (5) | 0.006 (5) |
C6' | 0.062 (9) | 0.051 (9) | 0.041 (8) | 0.001 (7) | 0.000 (6) | 0.014 (7) |
C7' | 0.074 (9) | 0.063 (10) | 0.058 (8) | −0.015 (7) | 0.016 (7) | 0.002 (8) |
C8' | 0.047 (8) | 0.045 (7) | 0.037 (7) | 0.002 (7) | 0.014 (6) | −0.015 (6) |
C9' | 0.048 (8) | 0.065 (9) | 0.027 (7) | 0.000 (7) | 0.000 (5) | −0.010 (6) |
C10' | 0.074 (11) | 0.062 (9) | 0.049 (10) | 0.014 (8) | −0.001 (8) | 0.004 (7) |
C11 | 0.046 (3) | 0.036 (2) | 0.035 (2) | 0.003 (2) | 0.0018 (19) | 0.0003 (18) |
C12 | 0.046 (2) | 0.033 (2) | 0.033 (2) | −0.0002 (18) | −0.0005 (18) | 0.0017 (18) |
C13 | 0.052 (3) | 0.044 (3) | 0.042 (2) | −0.006 (2) | −0.002 (2) | 0.003 (2) |
C14 | 0.046 (2) | 0.035 (2) | 0.038 (2) | −0.005 (2) | 0.010 (2) | −0.0001 (19) |
C15 | 0.063 (3) | 0.068 (3) | 0.045 (2) | 0.010 (2) | 0.007 (3) | 0.009 (4) |
C16 | 0.083 (4) | 0.114 (5) | 0.039 (3) | −0.030 (4) | −0.008 (3) | 0.011 (3) |
C17 | 0.110 (5) | 0.096 (5) | 0.051 (3) | −0.056 (5) | 0.035 (4) | −0.029 (4) |
C18 | 0.089 (5) | 0.050 (3) | 0.090 (5) | −0.014 (3) | 0.052 (4) | −0.019 (3) |
C19 | 0.053 (3) | 0.040 (3) | 0.066 (4) | 0.003 (2) | 0.018 (2) | 0.002 (2) |
C20 | 0.060 (3) | 0.061 (3) | 0.050 (3) | −0.012 (3) | −0.013 (2) | −0.010 (2) |
C21 | 0.064 (3) | 0.041 (3) | 0.060 (3) | 0.003 (2) | 0.004 (3) | −0.003 (2) |
C22 | 0.139 (6) | 0.082 (4) | 0.072 (4) | −0.049 (4) | 0.008 (4) | 0.025 (4) |
Fe1—C7' | 2.002 (4) | C9—C10 | 1.399 (3) |
Fe1—C9 | 2.014 (5) | C9—H9 | 0.9300 |
Fe1—C6' | 2.019 (5) | C10—H10 | 0.9300 |
Fe1—C8 | 2.026 (4) | C6'—C10' | 1.424 (4) |
Fe1—C5 | 2.027 (5) | C6'—C7' | 1.424 (4) |
Fe1—C4 | 2.030 (4) | C6'—H6' | 0.9300 |
Fe1—C10 | 2.032 (5) | C7'—C8' | 1.424 (4) |
Fe1—C3 | 2.040 (5) | C7'—H7' | 0.9300 |
Fe1—C8' | 2.041 (5) | C8'—C9' | 1.424 (4) |
Fe1—C1 | 2.043 (4) | C8'—H8' | 0.9300 |
Fe1—C2 | 2.050 (4) | C9'—C10' | 1.424 (4) |
Fe1—C7 | 2.052 (5) | C9'—H9' | 0.9300 |
N1—C20 | 1.324 (5) | C10'—H10' | 0.9300 |
N1—N2 | 1.351 (5) | C11—C12 | 1.531 (5) |
N1—C12 | 1.453 (5) | C11—H11 | 0.9800 |
N2—C21 | 1.306 (6) | C12—C13 | 1.526 (6) |
N3—C20 | 1.295 (6) | C12—H12 | 0.9800 |
N3—C21 | 1.332 (6) | C13—C14 | 1.505 (6) |
O1—C22 | 1.392 (6) | C13—H13A | 0.9700 |
O1—C11 | 1.410 (5) | C13—H13B | 0.9700 |
C1—C2 | 1.420 (6) | C14—C15 | 1.371 (6) |
C1—C5 | 1.421 (6) | C14—C19 | 1.371 (6) |
C1—C11 | 1.501 (6) | C15—C16 | 1.385 (8) |
C2—C3 | 1.410 (7) | C15—H15 | 0.9300 |
C2—H2 | 0.9300 | C16—C17 | 1.330 (9) |
C3—C4 | 1.399 (6) | C16—H16 | 0.9300 |
C3—H3 | 0.9300 | C17—C18 | 1.360 (9) |
C4—C5 | 1.417 (6) | C17—H17 | 0.9300 |
C4—H4 | 0.9300 | C18—C19 | 1.390 (8) |
C5—H5 | 0.9300 | C18—H18 | 0.9300 |
C6—C7 | 1.399 (4) | C19—H19 | 0.9300 |
C6—C10 | 1.399 (4) | C20—H20 | 0.9300 |
C6—H6 | 0.9300 | C21—H21 | 0.9300 |
C7—C8 | 1.399 (4) | C22—H22A | 0.9600 |
C7—H7 | 0.9300 | C22—H22B | 0.9600 |
C8—C9 | 1.399 (4) | C22—H22C | 0.9600 |
C8—H8 | 0.9300 | ||
C7'—Fe1—C9 | 56.40 (15) | C7—C6—H6 | 126.0 |
C7'—Fe1—C6' | 41.49 (11) | C10—C6—H6 | 126.0 |
C9—Fe1—C6' | 66.55 (17) | Fe1—C6—H6 | 126.5 |
C7'—Fe1—C8 | 23.38 (7) | C6—C7—C8 | 108.0 |
C9—Fe1—C8 | 40.51 (11) | C6—C7—Fe1 | 70.24 (18) |
C6'—Fe1—C8 | 59.22 (15) | C8—C7—Fe1 | 68.94 (19) |
C7'—Fe1—C5 | 155.7 (4) | C6—C7—H7 | 126.0 |
C9—Fe1—C5 | 138.5 (4) | C8—C7—H7 | 126.0 |
C6'—Fe1—C5 | 119.1 (3) | Fe1—C7—H7 | 126.4 |
C8—Fe1—C5 | 178.1 (2) | C9—C8—C7 | 108.0 |
C7'—Fe1—C4 | 163.1 (4) | C9—C8—Fe1 | 69.26 (19) |
C9—Fe1—C4 | 113.6 (3) | C7—C8—Fe1 | 70.96 (19) |
C6'—Fe1—C4 | 152.0 (3) | C9—C8—H8 | 126.0 |
C8—Fe1—C4 | 140.2 (4) | C7—C8—H8 | 126.0 |
C5—Fe1—C4 | 40.90 (18) | Fe1—C8—H8 | 125.4 |
C7'—Fe1—C10 | 68.12 (17) | C10—C9—C8 | 108.0 |
C9—Fe1—C10 | 40.44 (11) | C10—C9—Fe1 | 70.49 (18) |
C6'—Fe1—C10 | 46.08 (12) | C8—C9—Fe1 | 70.23 (18) |
C8—Fe1—C10 | 67.78 (17) | C10—C9—H9 | 126.0 |
C5—Fe1—C10 | 110.4 (3) | C8—C9—H9 | 126.0 |
C4—Fe1—C10 | 114.4 (2) | Fe1—C9—H9 | 124.9 |
C7'—Fe1—C3 | 128.0 (3) | C9—C10—C6 | 108.0 |
C9—Fe1—C3 | 115.9 (2) | C9—C10—Fe1 | 69.06 (19) |
C6'—Fe1—C3 | 167.2 (3) | C6—C10—Fe1 | 70.91 (19) |
C8—Fe1—C3 | 113.6 (3) | C9—C10—H10 | 126.0 |
C5—Fe1—C3 | 68.2 (2) | C6—C10—H10 | 126.0 |
C4—Fe1—C3 | 40.22 (18) | Fe1—C10—H10 | 125.6 |
C10—Fe1—C3 | 144.1 (3) | C10'—C6'—C7' | 108.0 |
C7'—Fe1—C8' | 41.25 (11) | C10'—C6'—Fe1 | 71.50 (19) |
C9—Fe1—C8' | 24.91 (7) | C7'—C6'—Fe1 | 68.59 (18) |
C6'—Fe1—C8' | 69.17 (17) | C10'—C6'—H6' | 126.0 |
C8—Fe1—C8' | 19.19 (5) | C7'—C6'—H6' | 126.0 |
C5—Fe1—C8' | 160.7 (5) | Fe1—C6'—H6' | 125.5 |
C4—Fe1—C8' | 123.8 (4) | C6'—C7'—C8' | 108.0 |
C10—Fe1—C8' | 61.20 (16) | C6'—C7'—Fe1 | 69.92 (19) |
C3—Fe1—C8' | 107.5 (2) | C8'—C7'—Fe1 | 70.9 (2) |
C7'—Fe1—C1 | 122.3 (4) | C6'—C7'—H7' | 126.0 |
C9—Fe1—C1 | 175.5 (3) | C8'—C7'—H7' | 126.0 |
C6'—Fe1—C1 | 109.5 (2) | Fe1—C7'—H7' | 124.8 |
C8—Fe1—C1 | 139.9 (4) | C9'—C8'—C7' | 108.0 |
C5—Fe1—C1 | 40.85 (18) | C9'—C8'—Fe1 | 71.35 (18) |
C4—Fe1—C1 | 68.73 (19) | C7'—C8'—Fe1 | 67.89 (19) |
C10—Fe1—C1 | 135.3 (3) | C9'—C8'—H8' | 126.0 |
C3—Fe1—C1 | 68.4 (2) | C7'—C8'—H8' | 126.0 |
C8'—Fe1—C1 | 157.0 (5) | Fe1—C8'—H8' | 126.3 |
C7'—Fe1—C2 | 111.1 (2) | C8'—C9'—C10' | 108.0 |
C9—Fe1—C2 | 143.5 (3) | C8'—C9'—Fe1 | 68.25 (17) |
C6'—Fe1—C2 | 130.1 (3) | C10'—C9'—Fe1 | 69.43 (18) |
C8—Fe1—C2 | 113.6 (3) | C8'—C9'—H9' | 126.0 |
C5—Fe1—C2 | 68.07 (19) | C10'—C9'—H9' | 126.0 |
C4—Fe1—C2 | 67.8 (2) | Fe1—C9'—H9' | 127.9 |
C10—Fe1—C2 | 175.1 (3) | C6'—C10'—C9' | 108.0 |
C3—Fe1—C2 | 40.32 (19) | C6'—C10'—Fe1 | 67.74 (19) |
C8'—Fe1—C2 | 121.7 (3) | C9'—C10'—Fe1 | 70.43 (19) |
C1—Fe1—C2 | 40.61 (17) | C6'—C10'—H10' | 126.0 |
C7'—Fe1—C7 | 16.9 | C9'—C10'—H10' | 126.0 |
C9—Fe1—C7 | 67.63 (17) | Fe1—C10'—H10' | 127.4 |
C6'—Fe1—C7 | 29.24 (8) | O1—C11—C1 | 110.1 (3) |
C8—Fe1—C7 | 40.10 (11) | O1—C11—C12 | 107.0 (3) |
C5—Fe1—C7 | 138.9 (4) | C1—C11—C12 | 111.3 (3) |
C4—Fe1—C7 | 178.3 (2) | O1—C11—H11 | 109.4 |
C10—Fe1—C7 | 67.28 (17) | C1—C11—H11 | 109.4 |
C3—Fe1—C7 | 138.4 (3) | C12—C11—H11 | 109.4 |
C8'—Fe1—C7 | 56.91 (15) | N1—C12—C13 | 110.2 (3) |
C1—Fe1—C7 | 110.1 (3) | N1—C12—C11 | 109.0 (3) |
C2—Fe1—C7 | 110.5 (2) | C13—C12—C11 | 116.2 (4) |
C20—N1—N2 | 107.8 (4) | N1—C12—H12 | 107.0 |
C20—N1—C12 | 131.4 (4) | C13—C12—H12 | 107.0 |
N2—N1—C12 | 120.8 (3) | C11—C12—H12 | 107.0 |
C21—N2—N1 | 102.7 (4) | C14—C13—C12 | 110.7 (4) |
C20—N3—C21 | 102.1 (4) | C14—C13—H13A | 109.5 |
C22—O1—C11 | 116.0 (4) | C12—C13—H13A | 109.5 |
C2—C1—C5 | 106.9 (4) | C14—C13—H13B | 109.5 |
C2—C1—C11 | 126.3 (4) | C12—C13—H13B | 109.5 |
C5—C1—C11 | 126.6 (4) | H13A—C13—H13B | 108.1 |
C2—C1—Fe1 | 70.0 (2) | C15—C14—C19 | 118.6 (4) |
C5—C1—Fe1 | 69.0 (3) | C15—C14—C13 | 120.9 (4) |
C11—C1—Fe1 | 130.0 (3) | C19—C14—C13 | 120.5 (4) |
C3—C2—C1 | 108.5 (4) | C14—C15—C16 | 120.2 (5) |
C3—C2—Fe1 | 69.5 (3) | C14—C15—H15 | 119.9 |
C1—C2—Fe1 | 69.4 (3) | C16—C15—H15 | 119.9 |
C3—C2—H2 | 125.8 | C17—C16—C15 | 120.6 (6) |
C1—C2—H2 | 125.8 | C17—C16—H16 | 119.7 |
Fe1—C2—H2 | 126.9 | C15—C16—H16 | 119.7 |
C4—C3—C2 | 108.3 (4) | C16—C17—C18 | 120.7 (6) |
C4—C3—Fe1 | 69.5 (3) | C16—C17—H17 | 119.6 |
C2—C3—Fe1 | 70.2 (3) | C18—C17—H17 | 119.6 |
C4—C3—H3 | 125.9 | C17—C18—C19 | 119.5 (6) |
C2—C3—H3 | 125.9 | C17—C18—H18 | 120.3 |
Fe1—C3—H3 | 126.0 | C19—C18—H18 | 120.3 |
C3—C4—C5 | 108.1 (4) | C14—C19—C18 | 120.4 (5) |
C3—C4—Fe1 | 70.3 (3) | C14—C19—H19 | 119.8 |
C5—C4—Fe1 | 69.5 (3) | C18—C19—H19 | 119.8 |
C3—C4—H4 | 125.9 | N3—C20—N1 | 112.2 (4) |
C5—C4—H4 | 125.9 | N3—C20—H20 | 123.9 |
Fe1—C4—H4 | 125.9 | N1—C20—H20 | 123.9 |
C4—C5—C1 | 108.2 (4) | N2—C21—N3 | 115.2 (4) |
C4—C5—Fe1 | 69.6 (3) | N2—C21—H21 | 122.4 |
C1—C5—Fe1 | 70.2 (3) | N3—C21—H21 | 122.4 |
C4—C5—H5 | 125.9 | O1—C22—H22A | 109.5 |
C1—C5—H5 | 125.9 | O1—C22—H22B | 109.5 |
Fe1—C5—H5 | 125.9 | H22A—C22—H22B | 109.5 |
C7—C6—C10 | 108.0 | O1—C22—H22C | 109.5 |
C7—C6—Fe1 | 69.96 (18) | H22A—C22—H22C | 109.5 |
C10—C6—Fe1 | 69.08 (19) | H22B—C22—H22C | 109.5 |
C20—N1—N2—C21 | 0.5 (5) | C7'—Fe1—C9—C10 | −95.16 (13) |
C12—N1—N2—C21 | 178.2 (4) | C6'—Fe1—C9—C10 | −48.96 (9) |
C7'—Fe1—C1—C2 | −85.3 (4) | C8—Fe1—C9—C10 | −118.40 (12) |
C9—Fe1—C1—C2 | −157 (5) | C5—Fe1—C9—C10 | 59.1 (5) |
C6'—Fe1—C1—C2 | −129.5 (4) | C4—Fe1—C9—C10 | 100.4 (4) |
C8—Fe1—C1—C2 | −64.6 (5) | C3—Fe1—C9—C10 | 144.9 (4) |
C5—Fe1—C1—C2 | 118.2 (4) | C8'—Fe1—C9—C10 | −139.73 (10) |
C4—Fe1—C1—C2 | 80.3 (3) | C1—Fe1—C9—C10 | −20 (5) |
C10—Fe1—C1—C2 | −176.0 (4) | C2—Fe1—C9—C10 | −175.3 (4) |
C3—Fe1—C1—C2 | 37.0 (3) | C7—Fe1—C9—C10 | −80.74 (13) |
C8'—Fe1—C1—C2 | −47.2 (8) | C7'—Fe1—C9—C8 | 23.2 |
C7—Fe1—C1—C2 | −98.4 (4) | C6'—Fe1—C9—C8 | 69.45 (12) |
C7'—Fe1—C1—C5 | 156.5 (4) | C5—Fe1—C9—C8 | 177.5 (5) |
C9—Fe1—C1—C5 | 84 (5) | C4—Fe1—C9—C8 | −141.2 (4) |
C6'—Fe1—C1—C5 | 112.3 (4) | C10—Fe1—C9—C8 | 118.40 (12) |
C8—Fe1—C1—C5 | 177.3 (4) | C3—Fe1—C9—C8 | −96.7 (4) |
C4—Fe1—C1—C5 | −37.8 (3) | C8'—Fe1—C9—C8 | −21.3 |
C10—Fe1—C1—C5 | 65.8 (5) | C1—Fe1—C9—C8 | 98 (5) |
C3—Fe1—C1—C5 | −81.2 (3) | C2—Fe1—C9—C8 | −56.9 (4) |
C8'—Fe1—C1—C5 | −165.3 (6) | C7—Fe1—C9—C8 | 37.66 (8) |
C2—Fe1—C1—C5 | −118.2 (4) | C8—C9—C10—C6 | 0.0 |
C7—Fe1—C1—C5 | 143.4 (5) | Fe1—C9—C10—C6 | 60.5 (2) |
C7'—Fe1—C1—C11 | 35.8 (5) | C8—C9—C10—Fe1 | −60.50 (19) |
C9—Fe1—C1—C11 | −36 (5) | C7—C6—C10—C9 | 0.0 |
C6'—Fe1—C1—C11 | −8.4 (5) | Fe1—C6—C10—C9 | −59.34 (18) |
C8—Fe1—C1—C11 | 56.5 (6) | C7—C6—C10—Fe1 | 59.34 (18) |
C5—Fe1—C1—C11 | −120.7 (5) | C7'—Fe1—C10—C9 | 63.36 (12) |
C4—Fe1—C1—C11 | −158.6 (4) | C6'—Fe1—C10—C9 | 106.15 (12) |
C10—Fe1—C1—C11 | −54.9 (5) | C8—Fe1—C10—C9 | 38.11 (9) |
C3—Fe1—C1—C11 | 158.1 (5) | C5—Fe1—C10—C9 | −142.7 (5) |
C8'—Fe1—C1—C11 | 73.9 (8) | C4—Fe1—C10—C9 | −98.5 (5) |
C2—Fe1—C1—C11 | 121.1 (5) | C3—Fe1—C10—C9 | −61.9 (5) |
C7—Fe1—C1—C11 | 22.7 (5) | C8'—Fe1—C10—C9 | 18.1 |
C5—C1—C2—C3 | 0.7 (5) | C1—Fe1—C10—C9 | 177.8 (5) |
C11—C1—C2—C3 | 175.8 (4) | C2—Fe1—C10—C9 | 146 (3) |
Fe1—C1—C2—C3 | −58.7 (3) | C7—Fe1—C10—C9 | 81.67 (13) |
C5—C1—C2—Fe1 | 59.3 (3) | C7'—Fe1—C10—C6 | −55.48 (11) |
C11—C1—C2—Fe1 | −125.6 (4) | C9—Fe1—C10—C6 | −118.85 (11) |
C7'—Fe1—C2—C3 | −124.4 (5) | C6'—Fe1—C10—C6 | −12.7 |
C9—Fe1—C2—C3 | −62.8 (6) | C8—Fe1—C10—C6 | −80.74 (13) |
C6'—Fe1—C2—C3 | −168.0 (4) | C5—Fe1—C10—C6 | 98.5 (5) |
C8—Fe1—C2—C3 | −99.3 (5) | C4—Fe1—C10—C6 | 142.7 (4) |
C5—Fe1—C2—C3 | 81.7 (3) | C3—Fe1—C10—C6 | 179.2 (5) |
C4—Fe1—C2—C3 | 37.4 (3) | C8'—Fe1—C10—C6 | −100.75 (13) |
C10—Fe1—C2—C3 | 155 (3) | C1—Fe1—C10—C6 | 58.9 (5) |
C8'—Fe1—C2—C3 | −79.6 (6) | C2—Fe1—C10—C6 | 27 (3) |
C1—Fe1—C2—C3 | 120.1 (4) | C7—Fe1—C10—C6 | −37.18 (9) |
C7—Fe1—C2—C3 | −142.6 (5) | C7'—Fe1—C6'—C10' | 118.77 (12) |
C7'—Fe1—C2—C1 | 115.4 (5) | C9—Fe1—C6'—C10' | 53.61 (10) |
C9—Fe1—C2—C1 | 177.1 (5) | C8—Fe1—C6'—C10' | 98.68 (14) |
C6'—Fe1—C2—C1 | 71.8 (5) | C5—Fe1—C6'—C10' | −80.3 (5) |
C8—Fe1—C2—C1 | 140.6 (5) | C4—Fe1—C6'—C10' | −43.0 (7) |
C5—Fe1—C2—C1 | −38.4 (3) | C10—Fe1—C6'—C10' | 10.8 |
C4—Fe1—C2—C1 | −82.7 (3) | C3—Fe1—C6'—C10' | 157.7 (11) |
C10—Fe1—C2—C1 | 35 (3) | C8'—Fe1—C6'—C10' | 80.40 (14) |
C3—Fe1—C2—C1 | −120.1 (4) | C1—Fe1—C6'—C10' | −124.1 (4) |
C8'—Fe1—C2—C1 | 160.3 (5) | C2—Fe1—C6'—C10' | −165.1 (4) |
C7—Fe1—C2—C1 | 97.3 (5) | C7—Fe1—C6'—C10' | 139.33 (10) |
C1—C2—C3—C4 | −0.6 (5) | C9—Fe1—C6'—C7' | −65.15 (11) |
Fe1—C2—C3—C4 | −59.2 (3) | C8—Fe1—C6'—C7' | −20.1 |
C1—C2—C3—Fe1 | 58.6 (3) | C5—Fe1—C6'—C7' | 161.0 (5) |
C7'—Fe1—C3—C4 | −163.0 (5) | C4—Fe1—C6'—C7' | −161.8 (7) |
C9—Fe1—C3—C4 | −96.6 (5) | C10—Fe1—C6'—C7' | −107.93 (12) |
C6'—Fe1—C3—C4 | 165.1 (11) | C3—Fe1—C6'—C7' | 38.9 (11) |
C8—Fe1—C3—C4 | −141.4 (5) | C8'—Fe1—C6'—C7' | −38.37 (8) |
C5—Fe1—C3—C4 | 38.0 (3) | C1—Fe1—C6'—C7' | 117.2 (5) |
C10—Fe1—C3—C4 | −57.1 (6) | C2—Fe1—C6'—C7' | 76.2 (4) |
C8'—Fe1—C3—C4 | −121.9 (6) | C7—Fe1—C6'—C7' | 20.6 |
C1—Fe1—C3—C4 | 82.1 (3) | C10'—C6'—C7'—C8' | 0.0 |
C2—Fe1—C3—C4 | 119.4 (4) | Fe1—C6'—C7'—C8' | 60.9 (2) |
C7—Fe1—C3—C4 | 178.5 (5) | C10'—C6'—C7'—Fe1 | −60.9 (2) |
C7'—Fe1—C3—C2 | 77.6 (6) | C9—Fe1—C7'—C6' | 91.73 (12) |
C9—Fe1—C3—C2 | 144.0 (5) | C8—Fe1—C7'—C6' | 131.97 (9) |
C6'—Fe1—C3—C2 | 45.7 (12) | C5—Fe1—C7'—C6' | −43.8 (7) |
C8—Fe1—C3—C2 | 99.2 (5) | C4—Fe1—C7'—C6' | 149.6 (8) |
C5—Fe1—C3—C2 | −81.4 (3) | C10—Fe1—C7'—C6' | 47.61 (9) |
C4—Fe1—C3—C2 | −119.4 (4) | C3—Fe1—C7'—C6' | −169.8 (3) |
C10—Fe1—C3—C2 | −176.5 (5) | C8'—Fe1—C7'—C6' | 118.37 (11) |
C8'—Fe1—C3—C2 | 118.7 (6) | C1—Fe1—C7'—C6' | −83.1 (4) |
C1—Fe1—C3—C2 | −37.2 (3) | C2—Fe1—C7'—C6' | −127.2 (3) |
C7—Fe1—C3—C2 | 59.1 (6) | C7—Fe1—C7'—C6' | −36.08 (6) |
C2—C3—C4—C5 | 0.3 (6) | C9—Fe1—C7'—C8' | −26.64 (5) |
Fe1—C3—C4—C5 | −59.4 (3) | C6'—Fe1—C7'—C8' | −118.37 (11) |
C2—C3—C4—Fe1 | 59.7 (3) | C8—Fe1—C7'—C8' | 13.6 |
C7'—Fe1—C4—C3 | 52.4 (9) | C5—Fe1—C7'—C8' | −162.2 (7) |
C9—Fe1—C4—C3 | 102.8 (5) | C4—Fe1—C7'—C8' | 31.3 (8) |
C6'—Fe1—C4—C3 | −173.0 (5) | C10—Fe1—C7'—C8' | −70.76 (13) |
C8—Fe1—C4—C3 | 63.3 (6) | C3—Fe1—C7'—C8' | 71.8 (4) |
C5—Fe1—C4—C3 | −119.1 (4) | C1—Fe1—C7'—C8' | 158.5 (4) |
C10—Fe1—C4—C3 | 147.3 (4) | C2—Fe1—C7'—C8' | 114.5 (4) |
C8'—Fe1—C4—C3 | 76.8 (5) | C7—Fe1—C7'—C8' | −154.45 (7) |
C1—Fe1—C4—C3 | −81.4 (3) | C6'—C7'—C8'—C9' | 0.0 |
C2—Fe1—C4—C3 | −37.5 (3) | Fe1—C7'—C8'—C9' | 60.34 (19) |
C7—Fe1—C4—C3 | −37 (15) | C6'—C7'—C8'—Fe1 | −60.33 (19) |
C7'—Fe1—C4—C5 | 171.6 (8) | C7'—Fe1—C8'—C9' | −119.28 (11) |
C9—Fe1—C4—C5 | −138.0 (4) | C9—Fe1—C8'—C9' | −1.7 |
C6'—Fe1—C4—C5 | −53.9 (6) | C6'—Fe1—C8'—C9' | −80.69 (13) |
C8—Fe1—C4—C5 | −177.6 (5) | C8—Fe1—C8'—C9' | −135.78 (9) |
C10—Fe1—C4—C5 | −93.6 (4) | C5—Fe1—C8'—C9' | 38.4 (7) |
C3—Fe1—C4—C5 | 119.1 (4) | C4—Fe1—C8'—C9' | 71.2 (3) |
C8'—Fe1—C4—C5 | −164.1 (5) | C10—Fe1—C8'—C9' | −30.31 (7) |
C1—Fe1—C4—C5 | 37.8 (3) | C3—Fe1—C8'—C9' | 112.4 (4) |
C2—Fe1—C4—C5 | 81.6 (3) | C1—Fe1—C8'—C9' | −171.6 (6) |
C7—Fe1—C4—C5 | 83 (15) | C2—Fe1—C8'—C9' | 154.3 (3) |
C3—C4—C5—C1 | 0.1 (5) | C7—Fe1—C8'—C9' | −110.65 (12) |
Fe1—C4—C5—C1 | −59.8 (3) | C9—Fe1—C8'—C7' | 117.56 (10) |
C3—C4—C5—Fe1 | 59.9 (3) | C6'—Fe1—C8'—C7' | 38.59 (9) |
C2—C1—C5—C4 | −0.5 (5) | C8—Fe1—C8'—C7' | −16.5 |
C11—C1—C5—C4 | −175.6 (4) | C5—Fe1—C8'—C7' | 157.7 (7) |
Fe1—C1—C5—C4 | 59.5 (3) | C4—Fe1—C8'—C7' | −169.5 (3) |
C2—C1—C5—Fe1 | −60.0 (3) | C10—Fe1—C8'—C7' | 88.97 (13) |
C11—C1—C5—Fe1 | 125.0 (4) | C3—Fe1—C8'—C7' | −128.3 (4) |
C7'—Fe1—C5—C4 | −174.1 (5) | C1—Fe1—C8'—C7' | −52.3 (5) |
C9—Fe1—C5—C4 | 67.6 (4) | C2—Fe1—C8'—C7' | −86.5 (3) |
C6'—Fe1—C5—C4 | 154.3 (4) | C7—Fe1—C8'—C7' | 8.6 |
C8—Fe1—C5—C4 | 126 (14) | C7'—C8'—C9'—C10' | 0.0 |
C10—Fe1—C5—C4 | 104.0 (4) | Fe1—C8'—C9'—C10' | 58.17 (19) |
C3—Fe1—C5—C4 | −37.4 (3) | C7'—C8'—C9'—Fe1 | −58.18 (19) |
C8'—Fe1—C5—C4 | 43.4 (8) | C7'—Fe1—C9'—C8' | 38.12 (9) |
C1—Fe1—C5—C4 | −119.2 (4) | C9—Fe1—C9'—C8' | 2.7 |
C2—Fe1—C5—C4 | −81.0 (3) | C6'—Fe1—C9'—C8' | 82.87 (13) |
C7—Fe1—C5—C4 | −177.5 (4) | C8—Fe1—C9'—C8' | 16.2 |
C7'—Fe1—C5—C1 | −54.8 (7) | C5—Fe1—C9'—C8' | −165.7 (4) |
C9—Fe1—C5—C1 | −173.2 (3) | C4—Fe1—C9'—C8' | −125.7 (4) |
C6'—Fe1—C5—C1 | −86.5 (4) | C10—Fe1—C9'—C8' | 120.82 (11) |
C8—Fe1—C5—C1 | −115 (14) | C3—Fe1—C9'—C8' | −84.7 (4) |
C4—Fe1—C5—C1 | 119.2 (4) | C1—Fe1—C9'—C8' | 169.3 (8) |
C10—Fe1—C5—C1 | −136.8 (4) | C2—Fe1—C9'—C8' | −56.7 (5) |
C3—Fe1—C5—C1 | 81.8 (3) | C7—Fe1—C9'—C8' | 53.56 (12) |
C8'—Fe1—C5—C1 | 162.6 (6) | C7'—Fe1—C9'—C10' | −82.22 (14) |
C2—Fe1—C5—C1 | 38.2 (3) | C9—Fe1—C9'—C10' | −117.62 (9) |
C7—Fe1—C5—C1 | −58.3 (5) | C6'—Fe1—C9'—C10' | −37.47 (9) |
C7'—Fe1—C6—C7 | −17.4 | C8—Fe1—C9'—C10' | −104.18 (13) |
C9—Fe1—C6—C7 | −81.51 (13) | C5—Fe1—C9'—C10' | 73.9 (4) |
C6'—Fe1—C6—C7 | 0.8 | C4—Fe1—C9'—C10' | 114.0 (4) |
C8—Fe1—C6—C7 | −37.48 (8) | C10—Fe1—C9'—C10' | 0.5 |
C5—Fe1—C6—C7 | 143.3 (5) | C3—Fe1—C9'—C10' | 154.9 (3) |
C4—Fe1—C6—C7 | 178.2 (5) | C8'—Fe1—C9'—C10' | −120.34 (12) |
C10—Fe1—C6—C7 | −119.45 (11) | C1—Fe1—C9'—C10' | 49.0 (8) |
C3—Fe1—C6—C7 | 67 (4) | C2—Fe1—C9'—C10' | −177.0 (5) |
C8'—Fe1—C6—C7 | −56.24 (12) | C7—Fe1—C9'—C10' | −66.78 (14) |
C1—Fe1—C6—C7 | 99.9 (4) | C7'—C6'—C10'—C9' | 0.0 |
C2—Fe1—C6—C7 | 63.7 (4) | Fe1—C6'—C10'—C9' | −59.11 (19) |
C7'—Fe1—C6—C10 | 102.05 (13) | C7'—C6'—C10'—Fe1 | 59.11 (19) |
C9—Fe1—C6—C10 | 37.93 (9) | C8'—C9'—C10'—C6' | 0.0 |
C6'—Fe1—C6—C10 | 120.27 (9) | Fe1—C9'—C10'—C6' | 57.44 (18) |
C8—Fe1—C6—C10 | 81.97 (14) | C8'—C9'—C10'—Fe1 | −57.44 (18) |
C5—Fe1—C6—C10 | −97.3 (5) | C7'—Fe1—C10'—C6' | −38.48 (9) |
C4—Fe1—C6—C10 | −62.3 (5) | C9—Fe1—C10'—C6' | −101.67 (12) |
C3—Fe1—C6—C10 | −174 (4) | C8—Fe1—C10'—C6' | −63.02 (13) |
C8'—Fe1—C6—C10 | 63.20 (13) | C5—Fe1—C10'—C6' | 116.5 (5) |
C1—Fe1—C6—C10 | −140.7 (4) | C4—Fe1—C10'—C6' | 159.0 (4) |
C2—Fe1—C6—C10 | −176.8 (4) | C10—Fe1—C10'—C6' | −121.55 (9) |
C7—Fe1—C6—C10 | 119.45 (11) | C3—Fe1—C10'—C6' | −170.1 (5) |
C10—C6—C7—C8 | 0.0 | C8'—Fe1—C10'—C6' | −82.94 (13) |
Fe1—C6—C7—C8 | 58.8 (2) | C1—Fe1—C10'—C6' | 76.8 (4) |
C10—C6—C7—Fe1 | −58.8 (2) | C2—Fe1—C10'—C6' | 54.6 (10) |
C7'—Fe1—C7—C6 | 126.68 (10) | C7—Fe1—C10'—C6' | −20.52 (6) |
C9—Fe1—C7—C6 | 81.32 (13) | C7'—Fe1—C10'—C9' | 81.50 (14) |
C6'—Fe1—C7—C6 | −0.3 | C9—Fe1—C10'—C9' | 18.3 |
C8—Fe1—C7—C6 | 119.35 (12) | C6'—Fe1—C10'—C9' | 119.99 (11) |
C5—Fe1—C7—C6 | −58.2 (4) | C8—Fe1—C10'—C9' | 56.96 (12) |
C4—Fe1—C7—C6 | −139 (15) | C5—Fe1—C10'—C9' | −123.5 (5) |
C10—Fe1—C7—C6 | 37.36 (8) | C4—Fe1—C10'—C9' | −81.0 (5) |
C3—Fe1—C7—C6 | −174.3 (4) | C10—Fe1—C10'—C9' | −1.6 |
C8'—Fe1—C7—C6 | 106.84 (13) | C3—Fe1—C10'—C9' | −50.1 (5) |
C1—Fe1—C7—C6 | −94.5 (4) | C8'—Fe1—C10'—C9' | 37.05 (9) |
C2—Fe1—C7—C6 | −137.9 (3) | C1—Fe1—C10'—C9' | −163.2 (5) |
C7'—Fe1—C7—C8 | 7.3 | C2—Fe1—C10'—C9' | 174.6 (10) |
C9—Fe1—C7—C8 | −38.03 (9) | C7—Fe1—C10'—C9' | 99.46 (14) |
C6'—Fe1—C7—C8 | −119.66 (11) | C22—O1—C11—C1 | 125.7 (5) |
C5—Fe1—C7—C8 | −177.5 (5) | C22—O1—C11—C12 | −113.2 (5) |
C4—Fe1—C7—C8 | 102 (15) | C2—C1—C11—O1 | 33.2 (6) |
C10—Fe1—C7—C8 | −81.99 (14) | C5—C1—C11—O1 | −152.7 (4) |
C3—Fe1—C7—C8 | 66.4 (4) | Fe1—C1—C11—O1 | −60.3 (5) |
C8'—Fe1—C7—C8 | −12.5 | C2—C1—C11—C12 | −85.3 (5) |
C1—Fe1—C7—C8 | 146.2 (4) | C5—C1—C11—C12 | 88.8 (5) |
C2—Fe1—C7—C8 | 102.7 (4) | Fe1—C1—C11—C12 | −178.9 (3) |
C6—C7—C8—C9 | 0.0 | C20—N1—C12—C13 | 109.9 (5) |
Fe1—C7—C8—C9 | 59.60 (19) | N2—N1—C12—C13 | −67.3 (5) |
C6—C7—C8—Fe1 | −59.60 (19) | C20—N1—C12—C11 | −121.5 (5) |
C7'—Fe1—C8—C9 | −124.08 (10) | N2—N1—C12—C11 | 61.3 (5) |
C6'—Fe1—C8—C9 | −89.10 (12) | O1—C11—C12—N1 | 68.6 (4) |
C5—Fe1—C8—C9 | −60 (15) | C1—C11—C12—N1 | −171.0 (3) |
C4—Fe1—C8—C9 | 63.8 (4) | O1—C11—C12—C13 | −166.2 (3) |
C10—Fe1—C8—C9 | −38.05 (9) | C1—C11—C12—C13 | −45.8 (5) |
C3—Fe1—C8—C9 | 102.9 (3) | N1—C12—C13—C14 | −57.9 (5) |
C8'—Fe1—C8—C9 | 27.8 | C11—C12—C13—C14 | 177.6 (4) |
C1—Fe1—C8—C9 | −173.0 (4) | C12—C13—C14—C15 | −79.1 (5) |
C2—Fe1—C8—C9 | 147.1 (3) | C12—C13—C14—C19 | 98.1 (5) |
C7—Fe1—C8—C9 | −118.70 (11) | C19—C14—C15—C16 | −2.9 (6) |
C7'—Fe1—C8—C7 | −5.4 | C13—C14—C15—C16 | 174.3 (5) |
C9—Fe1—C8—C7 | 118.70 (11) | C14—C15—C16—C17 | 1.9 (8) |
C6'—Fe1—C8—C7 | 29.61 (6) | C15—C16—C17—C18 | 0.1 (9) |
C5—Fe1—C8—C7 | 58 (15) | C16—C17—C18—C19 | −0.8 (9) |
C4—Fe1—C8—C7 | −177.5 (4) | C15—C14—C19—C18 | 2.2 (7) |
C10—Fe1—C8—C7 | 80.65 (13) | C13—C14—C19—C18 | −175.1 (5) |
C3—Fe1—C8—C7 | −138.4 (3) | C17—C18—C19—C14 | −0.3 (9) |
C8'—Fe1—C8—C7 | 146.48 (9) | C21—N3—C20—N1 | 0.2 (6) |
C1—Fe1—C8—C7 | −54.3 (4) | N2—N1—C20—N3 | −0.4 (6) |
C2—Fe1—C8—C7 | −94.2 (3) | C12—N1—C20—N3 | −177.9 (4) |
C7—C8—C9—C10 | 0.0 | N1—N2—C21—N3 | −0.4 (6) |
Fe1—C8—C9—C10 | 60.67 (19) | C20—N3—C21—N2 | 0.2 (6) |
C7—C8—C9—Fe1 | −60.67 (19) |