Acta Crystallographica Section E: Structure Reports Online

Acta Crystallogr Sect E Struct Rep Online. 64(Pt 6): m835-m835

μ-Bis(diphenylphosphanyl)borato-κ² P:P′-bis[dicarbonyl(η⁵-cyclopentadienyl)iron(II)] tetrachloridoferrate(III) chloroform solvate

Franz Dornhausa, Hans-Wolfram Lernera, Michael Boltea*

a. Institut für Anorganische Chemie, J. W. Goethe-Universität Frankfurt, Max-von-Laue-Strasse 7, 60438 Frankfurt/Main, Germany

Correspondence e-mail: bolte@chemie.uni-frankfurt.de

© Dornhaus et al. 2008

DOI: 10.1107/S1600536808014931

Published online: 21 May 2008

Abstract

The title compound, [Fe₂(C₅H₅)₂(C₂₄H₂₂BP₂)(CO)₄][FeCl₄]·CHCl₃, is an oxidation product of CpFe(CO)₂PPh₂BH₃. One pair of phenyl rings attached to the two different P atoms are almost parallel, as are the other pair [dihedral angles = 8.7 (5) and 8.9 (5)°]. The planes of the two cyclopentadienyl rings are inclined by 26.8 (7)° with respect to each other. The carbonyl groups at each Fe atom are almost perpendicular [C—Fe—C = 92.6 (6) and 94.3 (5)°].

Related literature

For related literature, see: Kückmann et al. (2007 ▶).

Experimental

Crystal data

[Fe₂(C₅H₅)₂(C₂₄H₂₂BP₂)(CO)₄][FeCl₄]·CHCl₃

M r = 1054.10

Monoclinic,

a = 16.0627 (17) Å

b = 17.8223 (17) Å

c = 17.205 (2) Å

β = 113.296 (8)°

V = 4523.8 (9) Å³

Z = 4

Mo Kα radiation

μ = 1.47 mm⁻¹

T = 173 (2) K

0.11 × 0.07 × 0.02 mm

Data collection

Stoe IPDSII two-circle diffractometer

Absorption correction: multi-scan (MULABS; Spek, 2003 ▶; Blessing, 1995 ▶) T min = 0.855, T max = 0.971

44600 measured reflections

8506 independent reflections

3324 reflections with I > 2σ(I)

R int = 0.088

Refinement

R[F ² > 2σ(F ²)] = 0.111

wR(F ²) = 0.176

S = 0.99

8506 reflections

505 parameters

H-atom parameters constrained

Δρmax = 0.80 e Å⁻³

Δρmin = −0.60 e Å⁻³

Data collection: X-AREA (Stoe & Cie, 2001 ▶); cell refinement: X-AREA; data reduction: X-AREA; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: XP in SHELXTL-Plus (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXL97 and PLATON (Spek, 2003 ▶).

Supplementary Material

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Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BQ2081).

supplementary crystallographic information

Comment

Very recently we have described the synthesis of CpFe(CO)₂PPh₂BH₃ (Kückmann et al., 2007). We report here air oxidation of CpFe(CO)₂PPh₂BH₃ in chloroform and the result of the X-ray crystal structure analysis of the obtained oxidation product, [(CpFe(CO)₂PPh₂)₂BH₂][FeCl₄].

The title compound is an oxidation product of CpFe(CO)₂PPh₂BH₃. It is composed of cations, anions and neutral chloroform molecules. Pairs of phenyl rings attached to each of the two P atoms are almost coparallel [dihedral angles 8.7 (5)° and 8.9 (5)°]. The planes of the two cp rings are inclined by 26.8 (7)° with respect to each other. The carbonyl groups at each Fe atom are almost mutually perpendicular [C—Fe—C angle 92.6 (6)° and 94.3 (5)°].

Experimental

In an NMR tube a solution of CpFe(CO)₂PPh₂BH₃ (Kückmann et al., 2007) (0.2 mmol) in 0.6 ml CDCl₃ was exposed to air for several days at room temperature. Single crystals of the title compound were grown from this solution at room temperature.

Refinement

H atoms were refined with fixed individual displacement parameters [U(H) = 1.2 Ueq(C,B)] using a riding model with B—H = 0.99 Å, Caromatic—H = 0.95Å and Cl₃C—H = 1.0 Å.

Figures

Fig. 1.View larger versionFig. 1. Perspective view of the title compound with the atom numbering scheme; displacement ellipsoids are at the 50% probability level; H atoms are omitted for clarity. The FeCl4 anion and the CHCl3 solvent are omitted for clarity.

Crystal data

See full table

Data collection

See full table

Refinement

See full table

Special details

See full table

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²)

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Atomic displacement parameters (Å²)

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Geometric parameters (Å, °)

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References

Blessing, R. H. (1995). Acta Cryst. A51, 33–38.

Kückmann, T. I., Dornhaus, F., Bolte, M., Lerner, H.-W., Holthausen, M. C. & Wagner, M. (2007). Eur. J. Inorg. Chem. pp. 1989–2003.

Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.

Spek, A. L. (2003). J. Appl. Cryst.36, 7–13.

Stoe & Cie (2001). X-AREA Stoe & Cie, Darmstadt, Germany.

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Fig. 1.

Perspective view of the title compound with the atom numbering scheme; displacement ellipsoids are at the 50% probability level; H atoms are omitted for clarity. The FeCl4 anion and the CHCl3 solvent are omitted for clarity.

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[Fe₂(C₅H₅)₂(C₂₄H₂₂BP₂)(CO)₄][FeCl₄]·CHCl₃ | F₀₀₀ = 2124
Mr = 1054.10 | Dx = 1.548 Mg m⁻³
Monoclinic, P2₁/n | Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2yn | Cell parameters from 6332 reflections
a = 16.0627 (17) Å | θ = 3.6–24.5º
b = 17.8223 (17) Å | µ = 1.47 mm⁻¹
c = 17.205 (2) Å | T = 173 (2) K
β = 113.296 (8)º | Plate, brown
V = 4523.8 (9) Å³ | 0.11 × 0.07 × 0.02 mm
Z = 4 |

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Stoe IPDSII two-circle diffractometer | 8506 independent reflections
Radiation source: fine-focus sealed tube | 3324 reflections with I > 2σ(I)
Monochromator: graphite | Rint = 0.089
T = 173(2) K | θmax = 25.8º
ω scans | θmin = 3.6º
Absorption correction: multi-scan(MULABS; Spek, 2003; Blessing, 1995) | h = −19→19
Tmin = 0.855, Tmax = 0.971 | k = −21→21
44600 measured reflections | l = −20→18

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Refinement on F² | Secondary atom site location: difference Fourier map
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.111 | H-atom parameters constrained
wR(F²) = 0.176 |   w = 1/[σ²(Fo²) + (0.0133P)²] where P = (Fo² + 2Fc²)/3
S = 0.99 | (Δ/σ)max < 0.001
8506 reflections | Δρmax = 0.80 e Å⁻³
505 parameters | Δρmin = −0.60 e Å⁻³
Primary atom site location: structure-invariant direct methods | Extinction correction: none

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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.

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| x | y | z | Uiso*/Ueq |
B1 | 0.7751 (9) | 0.2979 (10) | 0.8313 (8) | 0.031 (3) |
H1A | 0.8093 | 0.3431 | 0.8600 | 0.037* |
H1B | 0.8119 | 0.2541 | 0.8609 | 0.037* |
Fe1 | 0.70461 (11) | 0.29478 (10) | 0.99844 (10) | 0.0235 (4) |
Fe2 | 0.92129 (11) | 0.30470 (10) | 0.72844 (10) | 0.0228 (4) |
P1 | 0.66442 (19) | 0.29568 (18) | 0.85413 (17) | 0.0197 (6) |
P2 | 0.7737 (2) | 0.29796 (18) | 0.71644 (18) | 0.0231 (7) |
C1 | 0.7935 (9) | 0.2299 (7) | 1.0123 (7) | 0.028 (3) |
O1 | 0.8519 (7) | 0.1879 (6) | 1.0251 (7) | 0.059 (3) |
C2 | 0.7777 (9) | 0.3741 (7) | 1.0121 (7) | 0.034 (3) |
O2 | 0.8262 (7) | 0.4231 (5) | 1.0217 (6) | 0.043 (3) |
C3 | 0.9563 (9) | 0.2289 (7) | 0.8019 (9) | 0.033 (3) |
O3 | 0.9828 (7) | 0.1817 (5) | 0.8526 (7) | 0.050 (3) |
C4 | 0.9460 (8) | 0.3751 (6) | 0.8084 (7) | 0.021 (3) |
O4 | 0.9641 (6) | 0.4213 (5) | 0.8581 (6) | 0.036 (2) |
C11 | 0.6176 (9) | 0.3548 (8) | 1.0417 (8) | 0.039 (4) |
H11 | 0.6117 | 0.4079 | 1.0406 | 0.046* |
C12 | 0.5664 (8) | 0.3034 (8) | 0.9779 (8) | 0.037 (3) |
H12 | 0.5177 | 0.3162 | 0.9263 | 0.045* |
C13 | 0.5997 (9) | 0.2295 (7) | 1.0036 (8) | 0.037 (4) |
H13 | 0.5791 | 0.1851 | 0.9710 | 0.044* |
C14 | 0.6680 (10) | 0.2335 (8) | 1.0851 (9) | 0.043 (4) |
H14 | 0.6997 | 0.1919 | 1.1181 | 0.051* |
C15 | 0.6819 (9) | 0.3087 (9) | 1.1101 (8) | 0.042 (4) |
H15 | 0.7253 | 0.3269 | 1.1622 | 0.051* |
C21 | 0.5872 (8) | 0.3745 (6) | 0.8036 (8) | 0.025 (3) |
C22 | 0.5883 (9) | 0.4404 (6) | 0.8455 (8) | 0.030 (3) |
H22 | 0.6269 | 0.4449 | 0.9037 | 0.036* |
C23 | 0.5331 (9) | 0.5011 (7) | 0.8036 (9) | 0.040 (4) |
H23 | 0.5366 | 0.5462 | 0.8341 | 0.048* |
C24 | 0.4739 (9) | 0.4976 (7) | 0.7195 (8) | 0.039 (4) |
H24 | 0.4359 | 0.5387 | 0.6924 | 0.047* |
C25 | 0.4724 (9) | 0.4322 (7) | 0.6769 (8) | 0.037 (3) |
H25 | 0.4324 | 0.4283 | 0.6190 | 0.044* |
C26 | 0.5276 (8) | 0.3711 (7) | 0.7154 (7) | 0.026 (3) |
H26 | 0.5259 | 0.3272 | 0.6835 | 0.031* |
C31 | 0.6003 (8) | 0.2122 (6) | 0.8099 (7) | 0.021 (3) |
C32 | 0.5039 (8) | 0.2071 (7) | 0.7774 (7) | 0.032 (3) |
H32 | 0.4698 | 0.2502 | 0.7787 | 0.038* |
C33 | 0.4592 (9) | 0.1417 (6) | 0.7443 (9) | 0.036 (3) |
H33 | 0.3948 | 0.1411 | 0.7209 | 0.043* |
C34 | 0.5051 (9) | 0.0776 (7) | 0.7441 (11) | 0.042 (4) |
H34 | 0.4725 | 0.0328 | 0.7214 | 0.051* |
C35 | 0.6013 (8) | 0.0771 (7) | 0.7775 (9) | 0.032 (3) |
H35 | 0.6336 | 0.0325 | 0.7774 | 0.039* |
C36 | 0.6472 (9) | 0.1438 (6) | 0.8106 (8) | 0.027 (3) |
H36 | 0.7116 | 0.1438 | 0.8343 | 0.032* |
C41 | 0.7122 (8) | 0.3789 (6) | 0.6556 (8) | 0.026 (3) |
C42 | 0.7131 (9) | 0.4462 (7) | 0.6993 (9) | 0.032 (3) |
H42 | 0.7455 | 0.4482 | 0.7590 | 0.038* |
C43 | 0.6678 (8) | 0.5093 (7) | 0.6568 (8) | 0.032 (3) |
H43 | 0.6702 | 0.5541 | 0.6875 | 0.039* |
C44 | 0.6192 (10) | 0.5081 (8) | 0.5706 (8) | 0.038 (4) |
H44 | 0.5868 | 0.5514 | 0.5423 | 0.045* |
C45 | 0.6178 (9) | 0.4432 (8) | 0.5254 (9) | 0.038 (3) |
H45 | 0.5857 | 0.4418 | 0.4657 | 0.045* |
C46 | 0.6634 (8) | 0.3818 (8) | 0.5683 (8) | 0.035 (3) |
H46 | 0.6618 | 0.3378 | 0.5365 | 0.042* |
C51 | 0.7135 (7) | 0.2153 (6) | 0.6561 (7) | 0.023 (3) |
C52 | 0.6165 (8) | 0.2150 (7) | 0.6108 (8) | 0.032 (3) |
H52 | 0.5823 | 0.2587 | 0.6099 | 0.038* |
C53 | 0.5731 (9) | 0.1508 (7) | 0.5685 (9) | 0.037 (4) |
H53 | 0.5092 | 0.1515 | 0.5383 | 0.044* |
C54 | 0.6208 (10) | 0.0849 (7) | 0.5692 (8) | 0.039 (4) |
H54 | 0.5901 | 0.0413 | 0.5402 | 0.046* |
C55 | 0.7130 (10) | 0.0853 (7) | 0.6129 (8) | 0.037 (3) |
H55 | 0.7463 | 0.0409 | 0.6146 | 0.044* |
C56 | 0.7596 (9) | 0.1499 (6) | 0.6555 (7) | 0.027 (3) |
H56 | 0.8237 | 0.1485 | 0.6841 | 0.032* |
C61 | 0.8766 (10) | 0.3001 (10) | 0.5953 (8) | 0.051 (4) |
H61 | 0.8164 | 0.2895 | 0.5571 | 0.061* |
C62 | 0.9107 (10) | 0.3710 (7) | 0.6238 (8) | 0.033 (3) |
H62 | 0.8780 | 0.4169 | 0.6098 | 0.040* |
C63 | 1.0042 (10) | 0.3620 (9) | 0.6785 (9) | 0.046 (4) |
H63 | 1.0452 | 0.4014 | 0.7059 | 0.055* |
C64 | 1.0246 (10) | 0.2864 (9) | 0.6845 (8) | 0.043 (4) |
H64 | 1.0818 | 0.2650 | 0.7180 | 0.051* |
C65 | 0.9461 (11) | 0.2457 (9) | 0.6322 (8) | 0.044 (4) |
H65 | 0.9410 | 0.1929 | 0.6237 | 0.053* |
Fe3 | 0.72051 (13) | 0.61469 (11) | 0.12242 (12) | 0.0352 (5) |
Cl31 | 0.6037 (3) | 0.5782 (2) | 0.0096 (2) | 0.0469 (10) |
Cl32 | 0.6747 (3) | 0.6715 (3) | 0.2116 (3) | 0.0857 (19) |
Cl33 | 0.7923 (3) | 0.5112 (2) | 0.1841 (3) | 0.0557 (11) |
Cl34 | 0.8099 (3) | 0.6898 (3) | 0.0894 (3) | 0.0657 (13) |
C5 | 0.8024 (11) | 0.4708 (9) | 0.3879 (11) | 0.059 (5) |
H5 | 0.7751 | 0.4969 | 0.3320 | 0.071* |
Cl51 | 0.7504 (4) | 0.3814 (3) | 0.3768 (3) | 0.0885 (17) |
Cl52 | 0.7830 (4) | 0.5251 (3) | 0.4605 (3) | 0.0782 (15) |
Cl53 | 0.9181 (4) | 0.4590 (4) | 0.4120 (5) | 0.119 (2) |

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| U ¹¹ | U ²² | U ³³ | U ¹² | U ¹³ | U ²³
B1 | 0.020 (7) | 0.038 (8) | 0.024 (7) | −0.002 (7) | −0.003 (6) | −0.005 (7)
Fe1 | 0.0215 (9) | 0.0301 (9) | 0.0164 (9) | 0.0028 (8) | 0.0048 (7) | 0.0030 (8)
Fe2 | 0.0220 (9) | 0.0238 (9) | 0.0221 (9) | −0.0005 (8) | 0.0082 (7) | 0.0007 (8)
P1 | 0.0193 (15) | 0.0222 (15) | 0.0151 (14) | 0.0010 (14) | 0.0040 (12) | 0.0018 (13)
P2 | 0.0236 (16) | 0.0216 (14) | 0.0186 (15) | −0.0004 (15) | 0.0024 (12) | 0.0003 (14)
C1 | 0.038 (8) | 0.036 (7) | 0.013 (6) | −0.002 (6) | 0.015 (6) | 0.004 (5)
O1 | 0.055 (7) | 0.068 (8) | 0.054 (7) | 0.048 (6) | 0.023 (6) | 0.034 (6)
C2 | 0.043 (9) | 0.030 (7) | 0.013 (6) | −0.004 (6) | −0.005 (6) | 0.004 (5)
O2 | 0.051 (7) | 0.046 (6) | 0.026 (5) | −0.010 (5) | 0.010 (5) | −0.002 (4)
C3 | 0.023 (7) | 0.029 (7) | 0.042 (8) | −0.013 (6) | 0.008 (6) | −0.004 (6)
O3 | 0.045 (6) | 0.033 (6) | 0.063 (7) | 0.017 (5) | 0.011 (5) | 0.022 (5)
C4 | 0.020 (6) | 0.026 (6) | 0.019 (6) | −0.001 (5) | 0.009 (5) | 0.005 (5)
O4 | 0.041 (6) | 0.042 (5) | 0.024 (5) | −0.010 (4) | 0.011 (4) | −0.009 (4)
C11 | 0.026 (7) | 0.051 (9) | 0.032 (8) | −0.011 (6) | 0.004 (6) | −0.016 (6)
C12 | 0.026 (7) | 0.053 (8) | 0.032 (7) | 0.013 (7) | 0.011 (6) | 0.008 (7)
C13 | 0.047 (9) | 0.049 (8) | 0.012 (6) | −0.010 (7) | 0.009 (6) | 0.008 (5)
C14 | 0.038 (9) | 0.058 (10) | 0.031 (8) | 0.000 (7) | 0.014 (7) | 0.027 (7)
C15 | 0.036 (8) | 0.070 (11) | 0.024 (7) | −0.009 (8) | 0.015 (6) | 0.013 (7)
C21 | 0.019 (6) | 0.023 (6) | 0.032 (7) | −0.008 (5) | 0.010 (5) | 0.006 (5)
C22 | 0.033 (8) | 0.027 (6) | 0.021 (7) | 0.009 (6) | −0.001 (6) | 0.000 (5)
C23 | 0.048 (9) | 0.018 (6) | 0.042 (9) | 0.010 (6) | 0.006 (7) | −0.001 (6)
C24 | 0.035 (8) | 0.034 (7) | 0.030 (8) | 0.016 (6) | −0.007 (6) | 0.008 (6)
C25 | 0.043 (9) | 0.045 (8) | 0.011 (6) | 0.001 (6) | −0.001 (6) | 0.004 (6)
C26 | 0.017 (6) | 0.032 (7) | 0.024 (7) | −0.016 (5) | 0.004 (5) | −0.008 (5)
C31 | 0.030 (7) | 0.021 (6) | 0.012 (5) | 0.007 (5) | 0.006 (5) | −0.001 (5)
C32 | 0.035 (7) | 0.031 (7) | 0.035 (7) | −0.007 (6) | 0.019 (6) | −0.007 (6)
C33 | 0.025 (7) | 0.027 (7) | 0.060 (10) | −0.004 (5) | 0.023 (7) | −0.005 (6)
C34 | 0.032 (8) | 0.018 (7) | 0.078 (12) | −0.003 (6) | 0.024 (8) | −0.004 (7)
C35 | 0.015 (7) | 0.036 (7) | 0.044 (8) | 0.005 (5) | 0.010 (6) | 0.000 (6)
C36 | 0.031 (7) | 0.023 (6) | 0.028 (7) | 0.011 (5) | 0.013 (6) | 0.006 (5)
C41 | 0.028 (7) | 0.020 (6) | 0.030 (7) | 0.008 (5) | 0.011 (6) | 0.004 (5)
C42 | 0.022 (7) | 0.035 (7) | 0.035 (8) | 0.005 (6) | 0.008 (6) | 0.013 (6)
C43 | 0.032 (8) | 0.029 (7) | 0.041 (8) | −0.014 (6) | 0.019 (6) | 0.007 (6)
C44 | 0.044 (9) | 0.040 (8) | 0.022 (7) | 0.007 (7) | 0.006 (6) | 0.017 (6)
C45 | 0.034 (8) | 0.045 (8) | 0.030 (8) | 0.017 (7) | 0.008 (6) | 0.005 (6)
C46 | 0.024 (7) | 0.042 (8) | 0.032 (7) | −0.002 (6) | 0.004 (6) | −0.008 (6)
C51 | 0.019 (6) | 0.021 (6) | 0.022 (6) | −0.002 (5) | 0.000 (5) | −0.003 (5)
C52 | 0.017 (6) | 0.035 (7) | 0.041 (8) | 0.005 (5) | 0.009 (6) | 0.001 (6)
C53 | 0.023 (7) | 0.032 (7) | 0.048 (9) | −0.017 (6) | 0.006 (6) | −0.028 (6)
C54 | 0.052 (10) | 0.035 (8) | 0.023 (7) | −0.025 (7) | 0.008 (7) | −0.018 (6)
C55 | 0.046 (9) | 0.023 (6) | 0.031 (8) | −0.004 (6) | 0.003 (6) | −0.010 (5)
C56 | 0.033 (7) | 0.034 (7) | 0.015 (6) | −0.002 (6) | 0.011 (5) | −0.008 (5)
C61 | 0.051 (10) | 0.079 (11) | 0.022 (7) | 0.006 (10) | 0.014 (7) | −0.006 (9)
C62 | 0.053 (9) | 0.020 (7) | 0.033 (8) | −0.008 (6) | 0.024 (7) | −0.002 (6)
C63 | 0.045 (9) | 0.071 (11) | 0.030 (8) | −0.023 (8) | 0.023 (7) | −0.011 (7)
C64 | 0.040 (8) | 0.066 (11) | 0.026 (7) | 0.020 (8) | 0.018 (6) | 0.001 (7)
C65 | 0.069 (11) | 0.052 (9) | 0.022 (8) | −0.015 (8) | 0.029 (8) | −0.015 (7)
Fe3 | 0.0253 (10) | 0.0465 (12) | 0.0245 (10) | 0.0111 (9) | −0.0003 (8) | −0.0047 (9)
Cl31 | 0.040 (2) | 0.052 (2) | 0.033 (2) | 0.0042 (17) | −0.0024 (16) | −0.0157 (17)
Cl32 | 0.045 (3) | 0.147 (5) | 0.054 (3) | 0.027 (3) | 0.008 (2) | −0.050 (3)
Cl33 | 0.050 (2) | 0.058 (2) | 0.049 (2) | 0.025 (2) | 0.0098 (19) | 0.0118 (19)
Cl34 | 0.051 (2) | 0.075 (3) | 0.055 (3) | −0.010 (2) | 0.004 (2) | 0.008 (2)
C5 | 0.055 (11) | 0.063 (11) | 0.045 (10) | 0.007 (9) | 0.003 (8) | 0.012 (8)
Cl51 | 0.115 (4) | 0.072 (3) | 0.063 (3) | 0.008 (3) | 0.018 (3) | 0.003 (3)
Cl52 | 0.105 (4) | 0.061 (3) | 0.076 (3) | 0.016 (3) | 0.044 (3) | 0.014 (2)
Cl53 | 0.080 (4) | 0.184 (7) | 0.103 (5) | 0.014 (4) | 0.047 (4) | 0.014 (5)

[Back]

[Back]

B1—P2 | 1.967 (14) | C31—C36 | 1.430 (15)
B1—P1 | 1.967 (15) | C32—C33 | 1.370 (16)
B1—H1A | 0.9900 | C32—H32 | 0.9500
B1—H1B | 0.9900 | C33—C34 | 1.360 (17)
Fe1—C1 | 1.778 (14) | C33—H33 | 0.9500
Fe1—C2 | 1.793 (14) | C34—C35 | 1.420 (18)
Fe1—C13 | 2.079 (14) | C34—H34 | 0.9500
Fe1—C15 | 2.107 (13) | C35—C36 | 1.397 (17)
Fe1—C14 | 2.111 (13) | C35—H35 | 0.9500
Fe1—C12 | 2.111 (13) | C36—H36 | 0.9500
Fe1—C11 | 2.115 (15) | C41—C46 | 1.394 (17)
Fe1—P1 | 2.305 (3) | C41—C42 | 1.414 (17)
Fe2—C3 | 1.783 (14) | C42—C43 | 1.381 (16)
Fe2—C4 | 1.786 (12) | C42—H42 | 0.9500
Fe2—C62 | 2.102 (13) | C43—C44 | 1.375 (18)
Fe2—C64 | 2.104 (14) | C43—H43 | 0.9500
Fe2—C63 | 2.112 (15) | C44—C45 | 1.390 (19)
Fe2—C61 | 2.114 (13) | C44—H44 | 0.9500
Fe2—C65 | 2.128 (14) | C45—C46 | 1.361 (17)
Fe2—P2 | 2.301 (4) | C45—H45 | 0.9500
P1—C31 | 1.799 (12) | C46—H46 | 0.9500
P1—C21 | 1.848 (12) | C51—C56 | 1.383 (16)
P2—C41 | 1.825 (12) | C51—C52 | 1.441 (16)
P2—C51 | 1.841 (11) | C52—C53 | 1.387 (16)
C1—O1 | 1.153 (14) | C52—H52 | 0.9500
C2—O2 | 1.138 (14) | C53—C54 | 1.398 (18)
C3—O3 | 1.164 (14) | C53—H53 | 0.9500
C4—O4 | 1.140 (13) | C54—C55 | 1.370 (19)
C11—C12 | 1.416 (18) | C54—H54 | 0.9500
C11—C15 | 1.471 (18) | C55—C56 | 1.410 (15)
C11—H11 | 0.9500 | C55—H55 | 0.9500
C12—C13 | 1.425 (18) | C56—H56 | 0.9500
C12—H12 | 0.9500 | C61—C62 | 1.39 (2)
C13—C14 | 1.401 (18) | C61—C65 | 1.42 (2)
C13—H13 | 0.9500 | C61—H61 | 0.9500
C14—C15 | 1.40 (2) | C62—C63 | 1.43 (2)
C14—H14 | 0.9500 | C62—H62 | 0.9500
C15—H15 | 0.9500 | C63—C64 | 1.38 (2)
C21—C22 | 1.374 (17) | C63—H63 | 0.9500
C21—C26 | 1.439 (16) | C64—C65 | 1.425 (19)
C22—C23 | 1.403 (16) | C64—H64 | 0.9500
C22—H22 | 0.9500 | C65—H65 | 0.9500
C23—C24 | 1.383 (18) | Fe3—Cl32 | 2.193 (5)
C23—H23 | 0.9500 | Fe3—Cl34 | 2.196 (5)
C24—C25 | 1.373 (18) | Fe3—Cl31 | 2.198 (4)
C24—H24 | 0.9500 | Fe3—Cl33 | 2.211 (4)
C25—C26 | 1.394 (17) | C5—Cl52 | 1.703 (19)
C25—H25 | 0.9500 | C5—Cl53 | 1.749 (18)
C26—H26 | 0.9500 | C5—Cl51 | 1.775 (17)
C31—C32 | 1.426 (16) | C5—H5 | 1.0000
P2—B1—P1 | 123.2 (6) | C21—C22—C23 | 120.9 (11)
P2—B1—H1A | 106.5 | C21—C22—H22 | 119.5
P1—B1—H1A | 106.5 | C23—C22—H22 | 119.5
P2—B1—H1B | 106.5 | C24—C23—C22 | 122.5 (12)
P1—B1—H1B | 106.5 | C24—C23—H23 | 118.8
H1A—B1—H1B | 106.5 | C22—C23—H23 | 118.8
C1—Fe1—C2 | 92.6 (6) | C25—C24—C23 | 117.1 (11)
C1—Fe1—C13 | 104.6 (5) | C25—C24—H24 | 121.4
C2—Fe1—C13 | 159.4 (6) | C23—C24—H24 | 121.4
C1—Fe1—C15 | 112.0 (5) | C24—C25—C26 | 122.4 (11)
C2—Fe1—C15 | 97.4 (6) | C24—C25—H25 | 118.8
C13—Fe1—C15 | 65.9 (5) | C26—C25—H25 | 118.8
C1—Fe1—C14 | 90.1 (6) | C25—C26—C21 | 120.1 (11)
C2—Fe1—C14 | 131.8 (6) | C25—C26—H26 | 120.0
C13—Fe1—C14 | 39.1 (5) | C21—C26—H26 | 120.0
C15—Fe1—C14 | 38.7 (6) | C32—C31—C36 | 115.8 (11)
C1—Fe1—C12 | 143.6 (6) | C32—C31—P1 | 124.8 (9)
C2—Fe1—C12 | 123.7 (6) | C36—C31—P1 | 119.3 (9)
C13—Fe1—C12 | 39.8 (5) | C33—C32—C31 | 121.8 (12)
C15—Fe1—C12 | 66.1 (5) | C33—C32—H32 | 119.1
C14—Fe1—C12 | 65.7 (5) | C31—C32—H32 | 119.1
C1—Fe1—C11 | 152.7 (5) | C34—C33—C32 | 121.3 (13)
C2—Fe1—C11 | 92.6 (6) | C34—C33—H33 | 119.3
C13—Fe1—C11 | 67.0 (5) | C32—C33—H33 | 119.3
C15—Fe1—C11 | 40.8 (5) | C33—C34—C35 | 120.6 (12)
C14—Fe1—C11 | 66.8 (6) | C33—C34—H34 | 119.7
C12—Fe1—C11 | 39.2 (5) | C35—C34—H34 | 119.7
C1—Fe1—P1 | 91.0 (4) | C36—C35—C34 | 118.3 (12)
C2—Fe1—P1 | 91.5 (4) | C36—C35—H35 | 120.9
C13—Fe1—P1 | 99.4 (4) | C34—C35—H35 | 120.9
C15—Fe1—P1 | 154.9 (4) | C35—C36—C31 | 122.1 (11)
C14—Fe1—P1 | 136.6 (4) | C35—C36—H36 | 119.0
C12—Fe1—P1 | 89.5 (4) | C31—C36—H36 | 119.0
C11—Fe1—P1 | 115.7 (4) | C46—C41—C42 | 115.1 (11)
C3—Fe2—C4 | 94.3 (5) | C46—C41—P2 | 126.4 (10)
C3—Fe2—C62 | 158.3 (6) | C42—C41—P2 | 118.5 (9)
C4—Fe2—C62 | 100.5 (5) | C43—C42—C41 | 121.1 (13)
C3—Fe2—C64 | 93.7 (6) | C43—C42—H42 | 119.4
C4—Fe2—C64 | 114.8 (6) | C41—C42—H42 | 119.4
C62—Fe2—C64 | 65.7 (5) | C44—C43—C42 | 121.0 (13)
C3—Fe2—C63 | 125.6 (6) | C44—C43—H43 | 119.5
C4—Fe2—C63 | 89.4 (5) | C42—C43—H43 | 119.5
C62—Fe2—C63 | 39.7 (5) | C43—C44—C45 | 119.5 (12)
C64—Fe2—C63 | 38.3 (6) | C43—C44—H44 | 120.2
C3—Fe2—C61 | 128.0 (7) | C45—C44—H44 | 120.2
C4—Fe2—C61 | 137.6 (6) | C46—C45—C44 | 118.6 (13)
C62—Fe2—C61 | 38.4 (6) | C46—C45—H45 | 120.7
C64—Fe2—C61 | 65.3 (6) | C44—C45—H45 | 120.7
C63—Fe2—C61 | 64.9 (6) | C45—C46—C41 | 124.6 (13)
C3—Fe2—C65 | 94.2 (6) | C45—C46—H46 | 117.7
C4—Fe2—C65 | 153.3 (6) | C41—C46—H46 | 117.7
C62—Fe2—C65 | 65.7 (5) | C56—C51—C52 | 117.4 (10)
C64—Fe2—C65 | 39.3 (5) | C56—C51—P2 | 121.1 (9)
C63—Fe2—C65 | 65.2 (6) | C52—C51—P2 | 121.5 (9)
C61—Fe2—C65 | 39.2 (6) | C53—C52—C51 | 119.9 (11)
C3—Fe2—P2 | 92.8 (4) | C53—C52—H52 | 120.1
C4—Fe2—P2 | 90.7 (4) | C51—C52—H52 | 120.1
C62—Fe2—P2 | 102.7 (4) | C52—C53—C54 | 121.9 (11)
C64—Fe2—P2 | 153.0 (4) | C52—C53—H53 | 119.1
C63—Fe2—P2 | 141.5 (5) | C54—C53—H53 | 119.1
C61—Fe2—P2 | 90.3 (4) | C55—C54—C53 | 118.0 (11)
C65—Fe2—P2 | 114.1 (4) | C55—C54—H54 | 121.0
C31—P1—C21 | 105.3 (5) | C53—C54—H54 | 121.0
C31—P1—B1 | 110.1 (6) | C54—C55—C56 | 121.7 (12)
C21—P1—B1 | 112.4 (6) | C54—C55—H55 | 119.2
C31—P1—Fe1 | 108.6 (4) | C56—C55—H55 | 119.2
C21—P1—Fe1 | 111.2 (4) | C51—C56—C55 | 121.1 (12)
B1—P1—Fe1 | 109.0 (4) | C51—C56—H56 | 119.4
C41—P2—C51 | 105.4 (5) | C55—C56—H56 | 119.4
C41—P2—B1 | 111.4 (6) | C62—C61—C65 | 109.5 (13)
C51—P2—B1 | 111.2 (6) | C62—C61—Fe2 | 70.4 (8)
C41—P2—Fe2 | 108.3 (4) | C65—C61—Fe2 | 70.9 (8)
C51—P2—Fe2 | 112.6 (4) | C62—C61—H61 | 125.3
B1—P2—Fe2 | 107.9 (4) | C65—C61—H61 | 125.3
O1—C1—Fe1 | 176.9 (11) | Fe2—C61—H61 | 125.1
O2—C2—Fe1 | 178.0 (12) | C61—C62—C63 | 107.2 (13)
O3—C3—Fe2 | 176.5 (11) | C61—C62—Fe2 | 71.2 (8)
O4—C4—Fe2 | 177.2 (11) | C63—C62—Fe2 | 70.5 (8)
C12—C11—C15 | 105.5 (12) | C61—C62—H62 | 126.4
C12—C11—Fe1 | 70.3 (8) | C63—C62—H62 | 126.4
C15—C11—Fe1 | 69.3 (8) | Fe2—C62—H62 | 123.5
C12—C11—H11 | 127.2 | C64—C63—C62 | 108.3 (13)
C15—C11—H11 | 127.2 | C64—C63—Fe2 | 70.5 (9)
Fe1—C11—H11 | 124.8 | C62—C63—Fe2 | 69.8 (8)
C11—C12—C13 | 109.0 (12) | C64—C63—H63 | 125.8
C11—C12—Fe1 | 70.6 (8) | C62—C63—H63 | 125.8
C13—C12—Fe1 | 68.9 (8) | Fe2—C63—H63 | 125.4
C11—C12—H12 | 125.5 | C63—C64—C65 | 109.0 (13)
C13—C12—H12 | 125.5 | C63—C64—Fe2 | 71.2 (8)
Fe1—C12—H12 | 126.6 | C65—C64—Fe2 | 71.2 (8)
C14—C13—C12 | 108.2 (12) | C63—C64—H64 | 125.5
C14—C13—Fe1 | 71.7 (8) | C65—C64—H64 | 125.5
C12—C13—Fe1 | 71.4 (8) | Fe2—C64—H64 | 123.7
C14—C13—H13 | 125.9 | C61—C65—C64 | 106.0 (13)
C12—C13—H13 | 125.9 | C61—C65—Fe2 | 69.9 (8)
Fe1—C13—H13 | 122.7 | C64—C65—Fe2 | 69.4 (7)
C15—C14—C13 | 108.8 (12) | C61—C65—H65 | 127.0
C15—C14—Fe1 | 70.5 (7) | C64—C65—H65 | 127.0
C13—C14—Fe1 | 69.2 (8) | Fe2—C65—H65 | 125.3
C15—C14—H14 | 125.6 | Cl32—Fe3—Cl34 | 109.5 (2)
C13—C14—H14 | 125.6 | Cl32—Fe3—Cl31 | 110.40 (17)
Fe1—C14—H14 | 126.3 | Cl34—Fe3—Cl31 | 111.66 (18)
C14—C15—C11 | 108.3 (12) | Cl32—Fe3—Cl33 | 107.7 (2)
C14—C15—Fe1 | 70.8 (8) | Cl34—Fe3—Cl33 | 111.25 (19)
C11—C15—Fe1 | 69.9 (7) | Cl31—Fe3—Cl33 | 106.17 (17)
C14—C15—H15 | 125.9 | Cl52—C5—Cl53 | 112.4 (10)
C11—C15—H15 | 125.9 | Cl52—C5—Cl51 | 112.0 (10)
Fe1—C15—H15 | 125.0 | Cl53—C5—Cl51 | 109.1 (9)
C22—C21—C26 | 117.0 (11) | Cl52—C5—H5 | 107.7
C22—C21—P1 | 122.4 (9) | Cl53—C5—H5 | 107.7
C26—C21—P1 | 120.5 (9) | Cl51—C5—H5 | 107.7
P2—B1—P1—C31 | 60.2 (11) | B1—P1—C21—C26 | 80.9 (11)
P2—B1—P1—C21 | −57.0 (11) | Fe1—P1—C21—C26 | −156.6 (8)
P2—B1—P1—Fe1 | 179.2 (8) | C26—C21—C22—C23 | 0.2 (19)
C1—Fe1—P1—C31 | 78.3 (6) | P1—C21—C22—C23 | 175.6 (11)
C2—Fe1—P1—C31 | 171.0 (6) | C21—C22—C23—C24 | 2(2)
C13—Fe1—P1—C31 | −26.6 (6) | C22—C23—C24—C25 | −2(2)
C15—Fe1—P1—C31 | −78.1 (11) | C23—C24—C25—C26 | 0(2)
C14—Fe1—P1—C31 | −12.9 (8) | C24—C25—C26—C21 | 2(2)
C12—Fe1—P1—C31 | −65.3 (6) | C22—C21—C26—C25 | −1.8 (18)
C11—Fe1—P1—C31 | −95.5 (6) | P1—C21—C26—C25 | −177.2 (10)
C1—Fe1—P1—C21 | −166.2 (6) | C21—P1—C31—C32 | −26.4 (11)
C2—Fe1—P1—C21 | −73.5 (6) | B1—P1—C31—C32 | −147.9 (10)
C13—Fe1—P1—C21 | 88.9 (6) | Fe1—P1—C31—C32 | 92.8 (10)
C15—Fe1—P1—C21 | 37.4 (11) | C21—P1—C31—C36 | 157.2 (10)
C14—Fe1—P1—C21 | 102.6 (7) | B1—P1—C31—C36 | 35.8 (11)
C12—Fe1—P1—C21 | 50.2 (6) | Fe1—P1—C31—C36 | −83.5 (9)
C11—Fe1—P1—C21 | 20.0 (6) | C36—C31—C32—C33 | −3.8 (17)
C1—Fe1—P1—B1 | −41.6 (7) | P1—C31—C32—C33 | 179.8 (10)
C2—Fe1—P1—B1 | 51.0 (7) | C31—C32—C33—C34 | 3(2)
C13—Fe1—P1—B1 | −146.6 (7) | C32—C33—C34—C35 | −1(2)
C15—Fe1—P1—B1 | 161.9 (11) | C33—C34—C35—C36 | 0(2)
C14—Fe1—P1—B1 | −132.9 (8) | C34—C35—C36—C31 | −1(2)
C12—Fe1—P1—B1 | 174.7 (7) | C32—C31—C36—C35 | 3.1 (17)
C11—Fe1—P1—B1 | 144.5 (7) | P1—C31—C36—C35 | 179.8 (10)
P1—B1—P2—C41 | 59.4 (11) | C51—P2—C41—C46 | −28.6 (13)
P1—B1—P2—C51 | −57.8 (11) | B1—P2—C41—C46 | −149.3 (12)
P1—B1—P2—Fe2 | 178.2 (8) | Fe2—P2—C41—C46 | 92.1 (12)
C3—Fe2—P2—C41 | 171.4 (6) | C51—P2—C41—C42 | 151.7 (11)
C4—Fe2—P2—C41 | 77.1 (6) | B1—P2—C41—C42 | 31.0 (12)
C62—Fe2—P2—C41 | −23.9 (6) | Fe2—P2—C41—C42 | −87.6 (10)
C64—Fe2—P2—C41 | −84.8 (10) | C46—C41—C42—C43 | 0.4 (19)
C63—Fe2—P2—C41 | −12.9 (8) | P2—C41—C42—C43 | −179.9 (10)
C61—Fe2—P2—C41 | −60.5 (7) | C41—C42—C43—C44 | 1(2)
C65—Fe2—P2—C41 | −92.7 (6) | C42—C43—C44—C45 | −2(2)
C3—Fe2—P2—C51 | −72.5 (6) | C43—C44—C45—C46 | 1(2)
C4—Fe2—P2—C51 | −166.8 (5) | C44—C45—C46—C41 | 0(2)
C62—Fe2—P2—C51 | 92.2 (5) | C42—C41—C46—C45 | −1(2)
C64—Fe2—P2—C51 | 31.4 (10) | P2—C41—C46—C45 | 179.5 (11)
C63—Fe2—P2—C51 | 103.2 (8) | C41—P2—C51—C56 | 147.2 (11)
C61—Fe2—P2—C51 | 55.6 (7) | B1—P2—C51—C56 | −92.0 (11)
C65—Fe2—P2—C51 | 23.4 (6) | Fe2—P2—C51—C56 | 29.3 (11)
C3—Fe2—P2—B1 | 50.6 (7) | C41—P2—C51—C52 | −35.5 (11)
C4—Fe2—P2—B1 | −43.7 (6) | B1—P2—C51—C52 | 85.3 (11)
C62—Fe2—P2—B1 | −144.6 (6) | Fe2—P2—C51—C52 | −153.4 (9)
C64—Fe2—P2—B1 | 154.5 (10) | C56—C51—C52—C53 | −0.2 (19)
C63—Fe2—P2—B1 | −133.7 (8) | P2—C51—C52—C53 | −177.7 (11)
C61—Fe2—P2—B1 | 178.7 (7) | C51—C52—C53—C54 | 1(2)
C65—Fe2—P2—B1 | 146.5 (7) | C52—C53—C54—C55 | 0(2)
C1—Fe1—C11—C12 | −113.7 (12) | C53—C54—C55—C56 | −1(2)
C2—Fe1—C11—C12 | 145.6 (8) | C52—C51—C56—C55 | −0.8 (18)
C13—Fe1—C11—C12 | −36.8 (8) | P2—C51—C56—C55 | 176.6 (10)
C15—Fe1—C11—C12 | −116.1 (12) | C54—C55—C56—C51 | 1(2)
C14—Fe1—C11—C12 | −79.4 (9) | C3—Fe2—C61—C62 | −155.8 (9)
P1—Fe1—C11—C12 | 52.7 (9) | C4—Fe2—C61—C62 | 19.0 (13)
C1—Fe1—C11—C15 | 2.4 (15) | C64—Fe2—C61—C62 | −81.4 (9)
C2—Fe1—C11—C15 | −98.3 (8) | C63—Fe2—C61—C62 | −39.0 (9)
C13—Fe1—C11—C15 | 79.2 (8) | C65—Fe2—C61—C62 | −119.9 (13)
C14—Fe1—C11—C15 | 36.6 (8) | P2—Fe2—C61—C62 | 110.4 (8)
C12—Fe1—C11—C15 | 116.1 (12) | C3—Fe2—C61—C65 | −35.9 (12)
P1—Fe1—C11—C15 | 168.8 (7) | C4—Fe2—C61—C65 | 138.9 (10)
C15—C11—C12—C13 | −2.4 (15) | C62—Fe2—C61—C65 | 119.9 (13)
Fe1—C11—C12—C13 | 58.3 (9) | C64—Fe2—C61—C65 | 38.5 (9)
C15—C11—C12—Fe1 | −60.7 (9) | C63—Fe2—C61—C65 | 80.9 (10)
C1—Fe1—C12—C11 | 134.9 (10) | P2—Fe2—C61—C65 | −129.7 (9)
C2—Fe1—C12—C11 | −42.7 (10) | C65—C61—C62—C63 | 1.4 (16)
C13—Fe1—C12—C11 | 120.4 (11) | Fe2—C61—C62—C63 | 61.7 (9)
C15—Fe1—C12—C11 | 39.9 (8) | C65—C61—C62—Fe2 | −60.4 (10)
C14—Fe1—C12—C11 | 82.5 (9) | C3—Fe2—C62—C61 | 60.8 (17)
P1—Fe1—C12—C11 | −134.2 (8) | C4—Fe2—C62—C61 | −167.1 (9)
C1—Fe1—C12—C13 | 14.5 (12) | C64—Fe2—C62—C61 | 80.3 (9)
C2—Fe1—C12—C13 | −163.2 (8) | C63—Fe2—C62—C61 | 116.8 (12)
C15—Fe1—C12—C13 | −80.5 (8) | C65—Fe2—C62—C61 | 37.0 (9)
C14—Fe1—C12—C13 | −37.9 (8) | P2—Fe2—C62—C61 | −73.9 (9)
C11—Fe1—C12—C13 | −120.4 (11) | C3—Fe2—C62—C63 | −56.0 (17)
P1—Fe1—C12—C13 | 105.4 (7) | C4—Fe2—C62—C63 | 76.1 (9)
C11—C12—C13—C14 | 3.4 (16) | C64—Fe2—C62—C63 | −36.5 (8)
Fe1—C12—C13—C14 | 62.7 (10) | C61—Fe2—C62—C63 | −116.8 (12)
C11—C12—C13—Fe1 | −59.3 (10) | C65—Fe2—C62—C63 | −79.8 (9)
C1—Fe1—C13—C14 | 71.5 (10) | P2—Fe2—C62—C63 | 169.3 (8)
C2—Fe1—C13—C14 | −74.1 (17) | C61—C62—C63—C64 | −1.9 (16)
C15—Fe1—C13—C14 | −36.4 (9) | Fe2—C62—C63—C64 | 60.3 (10)
C12—Fe1—C13—C14 | −117.3 (12) | C61—C62—C63—Fe2 | −62.2 (9)
C11—Fe1—C13—C14 | −81.0 (9) | C3—Fe2—C63—C64 | 38.8 (11)
P1—Fe1—C13—C14 | 165.0 (8) | C4—Fe2—C63—C64 | 133.6 (9)
C1—Fe1—C13—C12 | −171.2 (8) | C62—Fe2—C63—C64 | −119.0 (12)
C2—Fe1—C13—C12 | 43.2 (17) | C61—Fe2—C63—C64 | −81.3 (9)
C15—Fe1—C13—C12 | 81.0 (8) | C65—Fe2—C63—C64 | −37.8 (8)
C14—Fe1—C13—C12 | 117.3 (12) | P2—Fe2—C63—C64 | −135.9 (8)
C11—Fe1—C13—C12 | 36.3 (8) | C3—Fe2—C63—C62 | 157.8 (8)
P1—Fe1—C13—C12 | −77.7 (7) | C4—Fe2—C63—C62 | −107.3 (8)
C12—C13—C14—C15 | −2.9 (17) | C64—Fe2—C63—C62 | 119.0 (12)
Fe1—C13—C14—C15 | 59.5 (10) | C61—Fe2—C63—C62 | 37.8 (8)
C12—C13—C14—Fe1 | −62.4 (10) | C65—Fe2—C63—C62 | 81.2 (8)
C1—Fe1—C14—C15 | 126.5 (9) | P2—Fe2—C63—C62 | −16.9 (12)
C2—Fe1—C14—C15 | 32.9 (12) | C62—C63—C64—C65 | 1.7 (16)
C13—Fe1—C14—C15 | −120.1 (13) | Fe2—C63—C64—C65 | 61.5 (10)
C12—Fe1—C14—C15 | −81.5 (9) | C62—C63—C64—Fe2 | −59.8 (10)
C11—Fe1—C14—C15 | −38.5 (8) | C3—Fe2—C64—C63 | −149.3 (9)
P1—Fe1—C14—C15 | −141.9 (7) | C4—Fe2—C64—C63 | −52.9 (10)
C1—Fe1—C14—C13 | −113.4 (9) | C62—Fe2—C64—C63 | 37.8 (8)
C2—Fe1—C14—C13 | 153.0 (9) | C61—Fe2—C64—C63 | 80.2 (10)
C15—Fe1—C14—C13 | 120.1 (13) | C65—Fe2—C64—C63 | 118.6 (13)
C12—Fe1—C14—C13 | 38.6 (9) | P2—Fe2—C64—C63 | 107.0 (11)
C11—Fe1—C14—C13 | 81.5 (9) | C3—Fe2—C64—C65 | 92.1 (9)
P1—Fe1—C14—C13 | −21.9 (12) | C4—Fe2—C64—C65 | −171.4 (8)
C13—C14—C15—C11 | 1.4 (16) | C62—Fe2—C64—C65 | −80.8 (9)
Fe1—C14—C15—C11 | 60.1 (9) | C63—Fe2—C64—C65 | −118.6 (13)
C13—C14—C15—Fe1 | −58.7 (10) | C61—Fe2—C64—C65 | −38.4 (9)
C12—C11—C15—C14 | 0.7 (15) | P2—Fe2—C64—C65 | −11.5 (15)
Fe1—C11—C15—C14 | −60.7 (10) | C62—C61—C65—C64 | −0.3 (15)
C12—C11—C15—Fe1 | 61.4 (9) | Fe2—C61—C65—C64 | −60.3 (9)
C1—Fe1—C15—C14 | −60.1 (9) | C62—C61—C65—Fe2 | 60.0 (10)
C2—Fe1—C15—C14 | −155.9 (8) | C63—C64—C65—C61 | −0.9 (15)
C13—Fe1—C15—C14 | 36.7 (8) | Fe2—C64—C65—C61 | 60.6 (9)
C12—Fe1—C15—C14 | 80.4 (9) | C63—C64—C65—Fe2 | −61.5 (10)
C11—Fe1—C15—C14 | 118.8 (11) | C3—Fe2—C65—C61 | 152.4 (10)
P1—Fe1—C15—C14 | 94.4 (12) | C4—Fe2—C65—C61 | −99.4 (15)
C1—Fe1—C15—C11 | −178.8 (7) | C62—Fe2—C65—C61 | −36.2 (9)
C2—Fe1—C15—C11 | 85.3 (8) | C64—Fe2—C65—C61 | −116.9 (13)
C13—Fe1—C15—C11 | −82.1 (8) | C63—Fe2—C65—C61 | −80.1 (10)
C14—Fe1—C15—C11 | −118.8 (11) | P2—Fe2—C65—C61 | 57.4 (10)
C12—Fe1—C15—C11 | −38.4 (7) | C3—Fe2—C65—C64 | −90.7 (9)
P1—Fe1—C15—C11 | −24.4 (14) | C4—Fe2—C65—C64 | 17.5 (17)
C31—P1—C21—C22 | 145.8 (11) | C62—Fe2—C65—C64 | 80.7 (9)
B1—P1—C21—C22 | −94.3 (12) | C63—Fe2—C65—C64 | 36.8 (9)
Fe1—P1—C21—C22 | 28.2 (12) | C61—Fe2—C65—C64 | 116.9 (13)
C31—P1—C21—C26 | −39.0 (10) | P2—Fe2—C65—C64 | 174.3 (7)

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