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The title compound, [VCl(C7H7N){Fe(C8H13NSi)2}] or [FeV(C7H7N)(C8H13NSi)2Cl], crystallizes with the aromatic ring in the p-tolylimido unit parallel to the two cyclopentadienyl rings of the ferrocene moiety; the vanadium-bound chloride ion also lies in the plane occupied by the imido ligand. A mirror plane bisects the molecule through the V atom, the imido ligand and the Fe atom.
Supporting information
CCDC reference: 621519
Key indicators
- Single-crystal X-ray study
- T = 147 K
- Mean (C-C) = 0.004 Å
- R factor = 0.027
- wR factor = 0.034
- Data-to-parameter ratio = 11.2
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............ 24.72 Deg.
| Author Response: Due to the detector configuration employed,
data beyond 0.85 \%A was not collected.
|
Alert level C
THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590
Calculated sin(theta_max)/wavelength = 0.5884
PLAT023_ALERT_3_C Resolution (too) Low [sin(th)/Lambda < 0.6]..... 24.72 Deg.
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.08 Ratio
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si1
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C15
1 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
5 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
2 ALERT type 2 Indicator that the structure model may be wrong or deficient
3 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: TEXSAN (Molecular Structure Corporation & Rigaku Corporation, 1998); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: TEXSAN.
Chloro(
p-tolylimido-
κN)[
N,
N'-(trimethylsilyl)ferrocene-1,1'- diaminato-
κ2N,
N']vanadium(V)
top
Crystal data top
[FeV(C7H7N)(C8H13NSi)2Cl] | F(000) = 1144.00 |
Mr = 549.95 | Dx = 1.388 Mg m−3 |
Orthorhombic, Pnma | Mo Kα radiation, λ = 0.7107 Å |
Hall symbol: -P 2ac 2n | Cell parameters from 3806 reflections |
a = 14.981 (1) Å | θ = 3.3–24.6° |
b = 15.423 (1) Å | µ = 1.11 mm−1 |
c = 11.3884 (8) Å | T = 147 K |
V = 2631.4 (3) Å3 | Prism, red |
Z = 4 | 0.27 × 0.21 × 0.17 mm |
Data collection top
Bruker SMART 1000 CCD diffractometer | 1752 reflections with I > 3σ(I) |
ω scans | Rint = 0.024 |
Absorption correction: multi-scan (Blessing, 1995) | θmax = 24.7° |
Tmin = 0.728, Tmax = 0.828 | h = 0→17 |
11979 measured reflections | k = 0→18 |
2332 independent reflections | l = 0→13 |
Refinement top
Refinement on F | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.027 | w = 1/[σ2(Fo) + 0.00022|Fo|2] |
wR(F2) = 0.035 | (Δ/σ)max = 0.0004 |
S = 1.55 | Δρmax = 0.39 e Å−3 |
1752 reflections | Δρmin = −0.34 e Å−3 |
157 parameters | |
Special details top
Refinement. Refinement using reflections with F2 > 3.0 σ(F2). The
weighted R-factor (wR), goodness of fit (S) and
R-factor (gt) are based on F, with F set to zero for
negative F. The threshold expression of F2 > 3.0
σ(F2) is used only for calculating R-factor (gt). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Fe1 | 0.58299 (3) | 0.2500 | 0.04443 (5) | 0.0243 (2) | |
V1 | 0.79806 (4) | 0.2500 | 0.02787 (5) | 0.0205 (2) | |
Cl1 | 0.82425 (6) | 0.2500 | 0.22308 (8) | 0.0312 (3) | |
Si1 | 0.80551 (5) | 0.04670 (5) | −0.05816 (7) | 0.0288 (2) | |
N1 | 0.7514 (1) | 0.1429 (1) | −0.0155 (2) | 0.0229 (6) | |
N2 | 0.9020 (2) | 0.2500 | −0.0222 (2) | 0.0239 (8) | |
C1 | 0.6597 (2) | 0.1427 (2) | 0.0163 (2) | 0.0229 (7) | |
C2 | 0.5861 (2) | 0.1443 (2) | −0.0634 (2) | 0.0271 (7) | |
C3 | 0.5068 (2) | 0.1439 (2) | 0.0044 (3) | 0.0343 (8) | |
C4 | 0.5294 (2) | 0.1422 (2) | 0.1236 (3) | 0.0357 (8) | |
C5 | 0.6238 (2) | 0.1411 (2) | 0.1326 (2) | 0.0274 (7) | |
C6 | 0.7184 (2) | −0.0363 (2) | −0.0836 (3) | 0.052 (1) | |
C7 | 0.8799 (2) | 0.0118 (2) | 0.0627 (3) | 0.068 (1) | |
C8 | 0.8704 (2) | 0.0670 (2) | −0.1930 (3) | 0.054 (1) | |
C9 | 0.9946 (2) | 0.2500 | −0.0348 (3) | 0.0220 (10) | |
C10 | 1.0348 (2) | 0.2500 | −0.1446 (3) | 0.026 (1) | |
C11 | 1.1278 (2) | 0.2500 | −0.1522 (3) | 0.028 (1) | |
C12 | 1.1812 (2) | 0.2500 | −0.0535 (3) | 0.026 (1) | |
C13 | 1.1396 (2) | 0.2500 | 0.0554 (3) | 0.030 (1) | |
C14 | 1.0472 (2) | 0.2500 | 0.0653 (3) | 0.0250 (10) | |
C15 | 1.2809 (3) | 0.2500 | −0.0640 (4) | 0.038 (1) | |
H1 | 0.5897 | 0.1454 | −0.1466 | 0.0325* | |
H2 | 0.4478 | 0.1446 | −0.0261 | 0.0412* | |
H3 | 0.4886 | 0.1418 | 0.1875 | 0.0429* | |
H4 | 0.6573 | 0.1396 | 0.2034 | 0.0329* | |
H5 | 1.1751 | 0.2500 | 0.1245 | 0.0354* | |
H6 | 1.0201 | 0.2500 | 0.1407 | 0.0300* | |
H7 | 0.9994 | 0.2500 | −0.2138 | 0.0308* | |
H8 | 1.1551 | 0.2500 | −0.2275 | 0.0332* | |
H9 | 1.2962 | 0.2500 | −0.1455 | 0.0455* | |
H10 | 1.3041 | 0.1997 | −0.0280 | 0.0455* | |
H11 | 0.6856 | −0.0452 | −0.0132 | 0.0618* | |
H12 | 0.6793 | −0.0171 | −0.1438 | 0.0618* | |
H13 | 0.7458 | −0.0892 | −0.1067 | 0.0618* | |
H14 | 0.8454 | 0.0017 | 0.1314 | 0.0812* | |
H15 | 0.9097 | −0.0401 | 0.0409 | 0.0812* | |
H16 | 0.9226 | 0.0559 | 0.0779 | 0.0812* | |
H17 | 0.8991 | 0.0150 | −0.2168 | 0.0649* | |
H18 | 0.8315 | 0.0863 | −0.2534 | 0.0649* | |
H19 | 0.9141 | 0.1103 | −0.1780 | 0.0649* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Fe1 | 0.0168 (3) | 0.0220 (3) | 0.0342 (3) | 0.0000 | 0.0028 (2) | 0.0000 |
V1 | 0.0159 (3) | 0.0202 (3) | 0.0254 (3) | 0.0000 | 0.0013 (3) | 0.0000 |
Cl1 | 0.0244 (5) | 0.0432 (6) | 0.0260 (5) | 0.0000 | −0.0015 (4) | 0.0000 |
Si1 | 0.0271 (4) | 0.0223 (4) | 0.0371 (5) | 0.0033 (3) | 0.0044 (3) | −0.0023 (3) |
N1 | 0.019 (1) | 0.020 (1) | 0.029 (1) | 0.0007 (9) | 0.0024 (9) | 0.0002 (9) |
N2 | 0.019 (2) | 0.025 (2) | 0.027 (2) | 0.0000 | −0.001 (1) | 0.0000 |
C1 | 0.021 (1) | 0.016 (1) | 0.032 (2) | −0.000 (1) | 0.001 (1) | 0.000 (1) |
C2 | 0.025 (1) | 0.024 (1) | 0.033 (2) | −0.004 (1) | −0.003 (1) | −0.002 (1) |
C3 | 0.019 (1) | 0.029 (2) | 0.055 (2) | −0.005 (1) | −0.003 (1) | −0.001 (1) |
C4 | 0.028 (2) | 0.028 (2) | 0.051 (2) | −0.004 (1) | 0.016 (1) | 0.003 (1) |
C5 | 0.029 (1) | 0.024 (1) | 0.029 (2) | −0.000 (1) | 0.000 (1) | 0.005 (1) |
C6 | 0.050 (2) | 0.026 (2) | 0.079 (2) | −0.003 (1) | 0.014 (2) | −0.012 (2) |
C7 | 0.069 (2) | 0.055 (2) | 0.079 (3) | 0.034 (2) | −0.021 (2) | −0.005 (2) |
C8 | 0.066 (2) | 0.037 (2) | 0.059 (2) | −0.007 (2) | 0.028 (2) | −0.015 (2) |
C9 | 0.016 (2) | 0.019 (2) | 0.031 (2) | 0.0000 | 0.004 (2) | 0.0000 |
C10 | 0.021 (2) | 0.031 (2) | 0.025 (2) | 0.0000 | −0.004 (2) | 0.0000 |
C11 | 0.024 (2) | 0.030 (2) | 0.029 (2) | 0.0000 | 0.009 (2) | 0.0000 |
C12 | 0.018 (2) | 0.023 (2) | 0.036 (2) | 0.0000 | 0.000 (2) | 0.0000 |
C13 | 0.025 (2) | 0.034 (2) | 0.030 (2) | 0.0000 | −0.006 (2) | 0.0000 |
C14 | 0.021 (2) | 0.031 (2) | 0.023 (2) | 0.0000 | 0.003 (2) | 0.0000 |
C15 | 0.025 (2) | 0.042 (3) | 0.048 (3) | 0.0000 | 0.002 (2) | 0.0000 |
Geometric parameters (Å, º) top
Fe1—C1 | 2.040 (2) | C9—C14 | 1.386 (5) |
Fe1—C1i | 2.040 (2) | C10—C11 | 1.396 (5) |
Fe1—C2 | 2.042 (3) | C11—C12 | 1.379 (5) |
Fe1—C2i | 2.042 (3) | C12—C13 | 1.388 (5) |
Fe1—C3 | 2.047 (3) | C12—C15 | 1.499 (5) |
Fe1—C3i | 2.047 (3) | C13—C14 | 1.389 (5) |
Fe1—C4 | 2.055 (3) | C2—H1 | 0.950 |
Fe1—C4i | 2.055 (3) | C3—H2 | 0.950 |
Fe1—C5 | 2.050 (3) | C4—H3 | 0.950 |
Fe1—C5i | 2.050 (3) | C5—H4 | 0.950 |
V1—Cl1 | 2.257 (1) | C6—H11 | 0.950 |
V1—N1 | 1.861 (2) | C6—H12 | 0.950 |
V1—N1i | 1.861 (2) | C6—H13 | 0.950 |
V1—N2 | 1.658 (3) | C7—H14 | 0.950 |
Si1—N1 | 1.759 (2) | C7—H15 | 0.950 |
Si1—C6 | 1.850 (3) | C7—H16 | 0.950 |
Si1—C7 | 1.851 (3) | C8—H17 | 0.950 |
Si1—C8 | 1.844 (3) | C8—H18 | 0.950 |
N1—C1 | 1.420 (3) | C8—H19 | 0.950 |
N2—C9 | 1.395 (4) | C10—H7 | 0.950 |
C1—C2 | 1.427 (3) | C11—H8 | 0.950 |
C1—C5 | 1.430 (3) | C13—H5 | 0.950 |
C2—C3 | 1.418 (4) | C14—H6 | 0.950 |
C3—C4 | 1.399 (4) | C15—H9 | 0.956 |
C4—C5 | 1.418 (4) | C15—H10 | 0.943 |
C9—C10 | 1.388 (5) | C15—H10i | 0.943 |
| | | |
C1—Fe1—C1i | 108.4 (1) | Fe1—C5—C4 | 70.0 (2) |
C1—Fe1—C2 | 40.94 (10) | C1—C5—C4 | 107.9 (2) |
C1—Fe1—C2i | 122.72 (10) | N2—C9—C10 | 121.6 (3) |
C1—Fe1—C3 | 68.3 (1) | N2—C9—C14 | 118.8 (3) |
C1—Fe1—C3i | 158.1 (1) | C10—C9—C14 | 119.6 (3) |
C1—Fe1—C4 | 68.44 (10) | C9—C10—C11 | 119.2 (3) |
C1—Fe1—C4i | 161.0 (1) | C10—C11—C12 | 121.9 (3) |
C1—Fe1—C5 | 40.93 (10) | C11—C12—C13 | 117.9 (3) |
C1—Fe1—C5i | 125.02 (10) | C11—C12—C15 | 120.9 (3) |
C2—Fe1—C2i | 106.0 (1) | C13—C12—C15 | 121.2 (3) |
C2—Fe1—C3 | 40.6 (1) | C12—C13—C14 | 121.3 (3) |
C2—Fe1—C3i | 121.2 (1) | C9—C14—C13 | 120.0 (3) |
C2—Fe1—C4 | 68.1 (1) | Fe1—C2—H1 | 125.910 |
C2—Fe1—C4i | 156.8 (1) | C1—C2—H1 | 126.231 |
C2—Fe1—C5 | 68.5 (1) | C3—C2—H1 | 126.232 |
C2—Fe1—C5i | 160.4 (1) | Fe1—C3—H2 | 126.228 |
C3—Fe1—C3i | 106.2 (1) | C2—C3—H2 | 125.510 |
C3—Fe1—C4 | 39.9 (1) | C4—C3—H2 | 125.513 |
C3—Fe1—C4i | 121.8 (1) | Fe1—C4—H3 | 126.310 |
C3—Fe1—C5 | 67.7 (1) | C3—C4—H3 | 125.917 |
C3—Fe1—C5i | 158.5 (1) | C5—C4—H3 | 125.915 |
C4—Fe1—C4i | 108.0 (1) | Fe1—C5—H4 | 126.364 |
C4—Fe1—C5 | 40.4 (1) | C1—C5—H4 | 126.024 |
C4—Fe1—C5i | 124.4 (1) | C4—C5—H4 | 126.027 |
C5—Fe1—C5i | 110.0 (1) | Si1—C6—H11 | 109.470 |
CL1—V1—N1 | 109.09 (6) | Si1—C6—H12 | 109.469 |
CL1—V1—N1i | 109.09 (6) | Si1—C6—H13 | 109.472 |
CL1—V1—N2 | 100.1 (1) | H11—C6—H12 | 109.469 |
N1—V1—N1i | 125.2 (1) | H11—C6—H13 | 109.475 |
N1—V1—N2 | 105.16 (7) | H12—C6—H13 | 109.472 |
N1—V1i—N2 | 105.16 (7) | Si1—C7—H14 | 109.463 |
N1—Si1—C6 | 107.5 (1) | Si1—C7—H15 | 109.463 |
N1—Si1—C7 | 108.5 (1) | Si1—C7—H16 | 109.465 |
N1—Si1—C8 | 109.2 (1) | H14—C7—H15 | 109.476 |
C6—Si1—C7 | 109.8 (2) | H14—C7—H16 | 109.481 |
C6—Si1—C8 | 111.1 (2) | H15—C7—H16 | 109.480 |
C7—Si1—C8 | 110.6 (2) | Si1—C8—H17 | 109.460 |
V1—N1—Si1 | 130.4 (1) | Si1—C8—H18 | 109.466 |
V1—N1—C1 | 107.3 (2) | Si1—C8—H19 | 109.464 |
Si1—N1—C1 | 120.9 (2) | H17—C8—H18 | 109.478 |
V1—N2—C9 | 165.7 (3) | H17—C8—H19 | 109.476 |
Fe1—C1—N1 | 125.6 (2) | H18—C8—H19 | 109.484 |
Fe1—C1—C2 | 69.6 (1) | C9—C10—H7 | 120.384 |
Fe1—C1—C5 | 69.9 (1) | C11—C10—H7 | 120.384 |
N1—C1—C2 | 125.8 (2) | C10—C11—H8 | 119.048 |
N1—C1—C5 | 126.9 (2) | C12—C11—H8 | 119.037 |
C2—C1—C5 | 107.4 (2) | C12—C13—H5 | 119.332 |
Fe1—C2—C1 | 69.5 (1) | C14—C13—H5 | 119.336 |
Fe1—C2—C3 | 69.9 (1) | C9—C14—H6 | 120.001 |
C1—C2—C3 | 107.5 (2) | C13—C14—H6 | 119.996 |
Fe1—C3—C2 | 69.5 (1) | C12—C15—H9 | 108.351 |
Fe1—C3—C4 | 70.4 (2) | C12—C15—H10 | 109.377 |
C2—C3—C4 | 109.0 (2) | C12—C15—H10i | 109.377 |
Fe1—C4—C3 | 69.8 (2) | H9—C15—H10 | 109.512 |
Fe1—C4—C5 | 69.6 (1) | H9—C15—H10i | 109.512 |
C3—C4—C5 | 108.2 (2) | H10—C15—H10i | 110.673 |
Fe1—C5—C1 | 69.2 (1) | | |
| | | |
Fe1—C1—N1—V1 | 21.1 (2) | C1—Fe1—C5—C4 | −119.3 (2) |
Fe1—C1—N1—Si1 | −170.6 (1) | C1—Fe1—C5i—C4i | −163.3 (2) |
Fe1—C1—C2—C3 | −59.8 (2) | C1—N1—Si1—C6 | 12.5 (2) |
Fe1—C1—C5—C4 | 59.5 (2) | C1—N1—Si1—C7 | −106.3 (2) |
Fe1—C1i—N1i—V1 | −21.1 (2) | C1—N1—Si1—C8 | 133.1 (2) |
Fe1—C1i—N1i—Si1i | 170.6 (1) | C1—C2—Fe1—C2i | 121.8 (1) |
Fe1—C1i—C2i—C3i | 59.8 (2) | C1—C2—Fe1—C3 | −118.6 (2) |
Fe1—C1i—C5i—C4i | −59.5 (2) | C1—C2—Fe1—C3i | 163.2 (1) |
Fe1—C2—C1—N1 | −119.9 (2) | C1—C2—Fe1—C4 | −81.9 (2) |
Fe1—C2—C1—C5 | 59.9 (2) | C1—C2—Fe1—C4i | −166.6 (2) |
Fe1—C2—C3—C4 | −59.5 (2) | C1—C2—Fe1—C5 | −38.3 (1) |
Fe1—C2i—C1i—N1i | 119.9 (2) | C1—C2—Fe1—C5i | 51.2 (4) |
Fe1—C2i—C1i—C5i | −59.9 (2) | C1—C2—C3—C4 | 0.1 (3) |
Fe1—C2i—C3i—C4i | 59.5 (2) | C1—C5—Fe1—C2 | 38.3 (1) |
Fe1—C3—C2—C1 | 59.6 (2) | C1—C5—Fe1—C2i | −38.8 (4) |
Fe1—C3—C4—C5 | −59.2 (2) | C1—C5—Fe1—C3 | 82.2 (2) |
Fe1—C3i—C2i—C1i | −59.6 (2) | C1—C5—Fe1—C3i | 159.4 (3) |
Fe1—C3i—C4i—C5i | 59.2 (2) | C1—C5—Fe1—C4 | 119.3 (2) |
Fe1—C4—C3—C2 | 58.9 (2) | C1—C5—Fe1—C4i | −163.7 (1) |
Fe1—C4—C5—C1 | −59.0 (2) | C1—C5—Fe1—C5i | −120.8 (1) |
Fe1—C4i—C3i—C2i | −58.9 (2) | C1—C5—C4—C3 | 0.3 (3) |
Fe1—C4i—C5i—C1i | 59.0 (2) | C2—Fe1—C1—C5 | −118.4 (2) |
Fe1—C5—C1—N1 | 120.1 (3) | C2—Fe1—C1i—C5i | −165.5 (1) |
Fe1—C5—C1—C2 | −59.7 (2) | C2—Fe1—C2i—C3i | 119.5 (1) |
Fe1—C5—C4—C3 | 59.3 (2) | C2—Fe1—C3—C4 | 120.1 (2) |
Fe1—C5i—C1i—N1i | −120.1 (3) | C2—Fe1—C3i—C4i | 162.0 (1) |
Fe1—C5i—C1i—C2i | 59.7 (2) | C2—Fe1—C4—C3 | −37.3 (2) |
Fe1—C5i—C4i—C3i | −59.3 (2) | C2—Fe1—C4—C5 | 82.1 (2) |
V1—N1—Si1—C6 | 177.8 (2) | C2—Fe1—C4i—C3i | −42.0 (3) |
V1—N1—Si1—C7 | 59.0 (2) | C2—Fe1—C4i—C5i | −161.5 (2) |
V1—N1—Si1—C8 | −61.6 (2) | C2—Fe1—C5—C4 | −81.0 (2) |
V1—N1—C1—C2 | 110.4 (2) | C2—Fe1—C5i—C4i | 158.1 (3) |
V1—N1—C1—C5 | −69.4 (3) | C2—C1—Fe1—C3 | 37.9 (2) |
V1—N1i—C1i—C2i | −110.4 (2) | C2—C1—Fe1—C3i | −41.4 (3) |
V1—N1i—C1i—C5i | 69.4 (3) | C2—C1—Fe1—C4 | 81.0 (2) |
V1—N2—C9—C10 | 180.0 | C2—C1—Fe1—C4i | 163.8 (3) |
V1—N2—C9—C14 | 0.0 | C2—C1—Fe1—C5 | 118.4 (2) |
CL1—V1—N1—Si1 | −88.4 (1) | C2—C1—Fe1—C5i | −161.4 (1) |
CL1—V1—N1—C1 | 78.5 (2) | C2—C1—C5—C4 | −0.3 (3) |
CL1—V1—N1i—Si1i | 88.4 (1) | C2—C3—Fe1—C3i | 119.3 (1) |
CL1—V1—N1i—C1i | −78.5 (2) | C2—C3—Fe1—C4 | −120.1 (2) |
CL1—V1—N2—C9 | 0.0 | C2—C3—Fe1—C4i | 159.8 (2) |
Si1—N1—V1—N1i | 139.78 (10) | C2—C3—Fe1—C5 | −82.5 (2) |
Si1—N1—V1—N2 | 18.3 (2) | C2—C3—Fe1—C5i | −170.7 (3) |
Si1—N1—C1—C2 | −81.3 (3) | C2—C3—C4—C5 | −0.3 (3) |
Si1—N1—C1—C5 | 98.9 (3) | C3—Fe1—C1—C5 | −80.5 (2) |
N1—V1—N1i—C1i | 53.4 (2) | C3—Fe1—C1i—C5i | 159.8 (2) |
N1—V1—N2—C9 | −113.11 (7) | C3—Fe1—C3i—C4i | 120.5 (1) |
N1—C1—Fe1—C1i | 1.0 (3) | C3—Fe1—C4—C5 | 119.5 (2) |
N1—C1—Fe1—C2 | 120.0 (3) | C3—Fe1—C4i—C5i | 163.8 (2) |
N1—C1—Fe1—C2i | 43.9 (2) | C3—Fe1—C5—C4 | −37.1 (2) |
N1—C1—Fe1—C3 | 157.9 (2) | C3—Fe1—C5i—C4i | −40.2 (3) |
N1—C1—Fe1—C3i | 78.6 (3) | C3—C2—Fe1—C4 | 36.7 (2) |
N1—C1—Fe1—C4 | −159.0 (2) | C3—C2—Fe1—C4i | −48.0 (3) |
N1—C1—Fe1—C4i | −76.2 (4) | C3—C2—Fe1—C5 | 80.4 (2) |
N1—C1—Fe1—C5 | −121.6 (3) | C3—C2—Fe1—C5i | 169.8 (3) |
N1—C1—Fe1—C5i | −41.4 (3) | C3—C2—C1—C5 | 0.1 (3) |
N1—C1—C2—C3 | −179.7 (2) | C3—C4—Fe1—C4i | 118.3 (2) |
N1—C1—C5—C4 | 179.5 (2) | C3—C4—Fe1—C5 | −119.5 (2) |
N2—V1—N1—C1 | −174.9 (2) | C3—C4—Fe1—C5i | 159.9 (2) |
N2—V1—N1i—C1i | 174.9 (2) | C4—Fe1—C1—C5 | −37.4 (2) |
N2—C9—C10—C11 | 180.0 | C4—Fe1—C1i—C5i | −45.4 (4) |
N2—C9—C14—C13 | 180.0 | C4—Fe1—C4i—C5i | 122.2 (1) |
C1—Fe1—C1i—C2i | 119.0 (1) | C4—C3—Fe1—C5 | 37.6 (2) |
C1—Fe1—C1i—C5i | −122.6 (1) | C4—C3—Fe1—C5i | −50.6 (3) |
C1—Fe1—C2—C3 | 118.6 (2) | C4—C5—Fe1—C5i | 119.9 (2) |
C1—Fe1—C2i—C3i | 161.0 (1) | C9—C10—C11—C12 | 0.0 |
C1—Fe1—C3—C2 | −38.2 (1) | C9—C14—C13—C12 | 0.0 |
C1—Fe1—C3—C4 | 81.9 (2) | C10—C9—C14—C13 | 0.0 |
C1—Fe1—C3i—C2i | −47.4 (3) | C10—C11—C12—C13 | 0.0 |
C1—Fe1—C3i—C4i | −167.5 (2) | C10—C11—C12—C15 | 180.0 |
C1—Fe1—C4—C3 | −81.6 (2) | C11—C10—C9—C14 | 0.0 |
C1—Fe1—C4—C5 | 37.9 (2) | C11—C12—C13—C14 | 0.0 |
C1—Fe1—C4i—C3i | 165.7 (3) | C14—C13—C12—C15 | 180.0 |
C1—Fe1—C4i—C5i | 46.2 (4) | | |
Symmetry code: (i) x, −y+1/2, z. |
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