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The absolute configuration of the title compound, C17H18FeO or [Fe(C5H5)(C12H13O)], has been unambiguously determined from a data set with many Friedel pairs. Two mol­ecules were found in the asymmetric unit, both with the same configuration.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680201783X/bt6198sup1.cif
Contains datablocks sa602, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680201783X/bt6198Isup2.hkl
Contains datablock I

CCDC reference: 200718

Key indicators

  • Single-crystal X-ray study
  • T = 120 K
  • Mean [sigma](C-C) = 0.017 Å
  • R factor = 0.111
  • wR factor = 0.301
  • Data-to-parameter ratio = 12.6

checkCIF results

No syntax errors found


Amber Alert Alert Level B:
RINTA_01 Alert B The value of Rint is greater than 0.15 Rint given 0.194
Author response: The quality of the crystals was not very good, and this is apparent from the final R and wR values, as well as from R~int~, but, in spite of several attempts, it was not possible to obtain better crystals or data, so, due to the importance of the chemistry involved we decided to solve and refine the structure with the best data available.
PLAT_111  Alert B ADDSYM Detects (Pseudo) Centre of Symmetry ...         94 Perc Fit
Author response: Careful analysis using the options CALC ADDSYM EXACT and CALC NEWSYMM of PLATON shows "no obvious spacegroup change needed/suggested" and assigns an 83% probability to spacegroup P1. Moreover, both chiral centers, C4A and C4B, are detected as having the same configuration: R.
PLAT_113  Alert B ADDSYM Suggests Possible Pseudo/New Spacegroup       P-1
Author response: Same as above.

Yellow Alert Alert Level C:
RFACG_01 Alert C The value of the R factor is > 0.10 R factor given 0.111 RFACR_01 Alert C The value of the weighted R factor is > 0.25 Weighted R factor given 0.301 General Notes
ABSTM_02 When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.811 Tmax scaled 0.409 Tmin scaled 0.181 REFLT_03 From the CIF: _diffrn_reflns_theta_max 69.78 From the CIF: _reflns_number_total 4363 Count of symmetry unique reflns 2512 Completeness (_total/calc) 173.69% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1851 Fraction of Friedel pairs measured 0.737 Are heavy atom types Z>Si present yes Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF.
0 Alert Level A = Potentially serious problem
3 Alert Level B = Potential problem
2 Alert Level C = Please check

Computing details top

Data collection: COLLECT (Nonius, 1997-2000); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: DIRDIF97 (Beurskens et al., 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

(+)-(R,E)-2-Ethylidene-4-ferrocenylcyclopentanone top
Crystal data top
[Fe(C5H5)(C12H13O)]Z = 2
Mr = 294.16F(000) = 308
Triclinic, P1Dx = 1.465 Mg m3
a = 7.938 (2) ÅCu Kα radiation, λ = 1.54178 Å
b = 9.5038 (14) ÅCell parameters from 2303 reflections
c = 9.906 (3) Åθ = 1.8–30.0°
α = 100.765 (13)°µ = 8.95 mm1
β = 102.87 (2)°T = 120 K
γ = 107.855 (10)°Prismatic, orange
V = 666.7 (3) Å30.18 × 0.13 × 0.10 mm
Data collection top
Nonius KappaCCD
diffractometer
4363 independent reflections
Radiation source: fine-focus sealed tube3578 reflections with I > 2σ(I)
Horizonally mounted graphite crystal monochromatorRint = 0.194
Detector resolution: 9 pixels mm-1θmax = 69.8°, θmin = 4.8°
CCD scansh = 99
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
k = 1111
Tmin = 0.223, Tmax = 0.504l = 1211
20199 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.111H-atom parameters constrained
wR(F2) = 0.301 w = 1/[σ2(Fo2) + (0.2P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.17(Δ/σ)max < 0.001
4363 reflectionsΔρmax = 0.76 e Å3
345 parametersΔρmin = 0.76 e Å3
3 restraintsAbsolute structure: Flack (1983), 1933 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.013 (6)
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C1A0.6408 (18)0.0361 (12)0.3905 (12)0.062 (3)
O1A0.6613 (13)0.1436 (8)0.4285 (9)0.077 (3)
C2A0.7638 (15)0.1297 (11)0.4572 (12)0.055 (3)
C3A0.6862 (16)0.2271 (11)0.3785 (13)0.060 (3)
H31A0.76310.26740.31820.072*
H32A0.68130.31490.44720.072*
C4A0.4880 (15)0.1186 (11)0.2833 (11)0.061 (2)
H4A0.40110.12460.34140.073*
C5A0.4941 (17)0.0428 (12)0.2587 (13)0.065 (3)
H51A0.37190.11910.24970.078*
H52A0.52820.07120.17010.078*
C6A0.9167 (17)0.1681 (13)0.5664 (13)0.062 (3)
H6A0.94160.08740.60070.074*
C7A1.0521 (18)0.3281 (12)0.6394 (13)0.068 (3)
H71A1.00450.40110.60140.103*
H72A1.17110.33810.62130.103*
H73A1.06960.35010.74330.103*
Fe1A0.26977 (15)0.29880 (12)0.12784 (12)0.0549 (5)
C8A0.4211 (16)0.1608 (11)0.1476 (13)0.061 (3)
C9A0.2377 (15)0.0763 (11)0.0448 (11)0.055 (2)
H9A0.14600.01200.05110.065*
C10A0.2214 (16)0.1514 (12)0.0683 (13)0.058 (3)
H10A0.11740.11960.15140.070*
C11A0.3861 (18)0.2804 (11)0.0348 (12)0.065 (3)
H11A0.41030.35200.08990.077*
C12A0.5086 (16)0.2847 (12)0.0947 (13)0.063 (3)
H12A0.63040.35870.13970.075*
C13A0.268 (2)0.3896 (15)0.3324 (14)0.075 (4)
H13A0.33690.38130.42030.090*
C14A0.0893 (19)0.2875 (14)0.2473 (15)0.069 (3)
H14A0.01830.19660.26560.082*
C15A0.035 (2)0.3446 (15)0.1301 (16)0.074 (4)
H15A0.08190.29990.05750.089*
C16A0.186 (2)0.4832 (13)0.1378 (15)0.073 (3)
H16A0.18720.54400.07170.087*
C17A0.3290 (18)0.5085 (13)0.2640 (14)0.066 (3)
H17A0.44600.59050.29800.079*
C1B0.3849 (17)1.0250 (12)0.6248 (12)0.054 (2)
O1B0.3735 (13)1.1359 (9)0.5844 (9)0.070 (2)
C2B0.2527 (16)0.8638 (12)0.5593 (12)0.055 (2)
C3B0.3158 (15)0.7641 (12)0.6424 (11)0.056 (2)
H31B0.38870.71410.59570.067*
H32B0.20930.68400.65320.067*
C4B0.4381 (14)0.8807 (10)0.7898 (11)0.058 (2)
H4B0.35080.90650.84000.069*
C5B0.5335 (15)1.0230 (10)0.7476 (11)0.056 (2)
H51B0.57581.11680.82860.067*
H52B0.64131.01510.71660.067*
C6B0.0991 (16)0.8248 (12)0.4448 (12)0.057 (3)
H6B0.07880.90580.40830.069*
C7B0.0394 (17)0.6672 (12)0.3721 (13)0.068 (3)
H71B0.01630.59720.42880.101*
H72B0.02870.63250.27580.101*
H73B0.16440.66800.36360.101*
Fe1B0.72883 (15)0.70209 (12)0.87101 (12)0.0553 (5)
C8B0.5558 (16)0.8263 (13)0.8891 (12)0.062 (3)
C9B0.7427 (15)0.9125 (11)0.9814 (11)0.053 (2)
H9B0.82221.00870.97810.063*
C10B0.7858 (17)0.8272 (13)1.0778 (14)0.066 (3)
H10B0.89990.85801.15150.079*
C11B0.6345 (17)0.6906 (12)1.0478 (11)0.061 (3)
H11B0.62810.61411.09800.073*
C12B0.4922 (14)0.6860 (10)0.9293 (11)0.054 (2)
H12B0.37550.60450.88450.064*
C13B0.7239 (18)0.6353 (13)0.6609 (13)0.063 (3)
H13B0.65230.65440.58080.076*
C14B0.9046 (17)0.7328 (13)0.7514 (15)0.068 (3)
H14B0.97470.82950.74210.082*
C15B0.9618 (18)0.6637 (14)0.8553 (16)0.074 (4)
H15B1.07780.70360.92840.089*
C16B0.8171 (19)0.5243 (13)0.8328 (14)0.068 (3)
H16B0.81670.45360.88920.081*
C17B0.6719 (18)0.5074 (14)0.7115 (15)0.072 (4)
H17B0.55770.42250.67140.087*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C1A0.072 (7)0.058 (5)0.051 (5)0.024 (5)0.010 (5)0.014 (4)
O1A0.095 (6)0.051 (4)0.069 (5)0.019 (4)0.001 (4)0.018 (3)
C2A0.051 (6)0.056 (5)0.060 (6)0.024 (4)0.014 (5)0.017 (4)
C3A0.065 (7)0.051 (5)0.059 (6)0.020 (4)0.016 (5)0.009 (4)
C4A0.060 (5)0.062 (5)0.059 (5)0.026 (4)0.011 (5)0.014 (4)
C5A0.069 (7)0.056 (5)0.068 (7)0.024 (5)0.013 (5)0.022 (5)
C6A0.061 (6)0.066 (6)0.058 (6)0.027 (5)0.015 (5)0.012 (5)
C7A0.069 (7)0.057 (5)0.066 (7)0.017 (5)0.008 (6)0.013 (5)
Fe1A0.0555 (9)0.0524 (8)0.0545 (9)0.0195 (7)0.0153 (8)0.0110 (7)
C8A0.057 (6)0.052 (5)0.066 (6)0.019 (4)0.005 (5)0.014 (4)
C9A0.049 (5)0.055 (4)0.055 (5)0.014 (4)0.018 (4)0.011 (4)
C10A0.053 (5)0.054 (5)0.057 (6)0.015 (4)0.012 (5)0.006 (4)
C11A0.083 (8)0.053 (5)0.056 (6)0.025 (5)0.019 (5)0.015 (4)
C12A0.057 (6)0.057 (5)0.073 (7)0.022 (4)0.014 (5)0.019 (5)
C13A0.075 (8)0.082 (7)0.060 (7)0.029 (6)0.016 (6)0.004 (5)
C14A0.068 (7)0.069 (6)0.083 (8)0.024 (5)0.053 (6)0.018 (6)
C15A0.071 (8)0.072 (7)0.077 (8)0.036 (6)0.013 (7)0.008 (6)
C16A0.075 (8)0.060 (6)0.080 (8)0.028 (6)0.016 (6)0.017 (5)
C17A0.067 (7)0.057 (5)0.076 (7)0.017 (5)0.041 (6)0.014 (5)
C1B0.065 (6)0.057 (5)0.051 (5)0.030 (5)0.025 (5)0.018 (4)
O1B0.081 (5)0.065 (4)0.063 (5)0.030 (4)0.014 (4)0.020 (3)
C2B0.055 (6)0.062 (5)0.059 (6)0.025 (5)0.025 (5)0.021 (5)
C3B0.052 (5)0.062 (5)0.053 (5)0.022 (4)0.017 (4)0.011 (4)
C4B0.063 (5)0.055 (4)0.059 (5)0.022 (4)0.026 (5)0.015 (4)
C5B0.059 (6)0.050 (4)0.051 (5)0.010 (4)0.015 (4)0.012 (4)
C6B0.064 (6)0.062 (5)0.057 (6)0.029 (5)0.026 (5)0.020 (5)
C7B0.065 (7)0.068 (6)0.069 (7)0.030 (5)0.013 (6)0.016 (5)
Fe1B0.0554 (9)0.0500 (8)0.0566 (9)0.0179 (7)0.0126 (8)0.0125 (7)
C8B0.053 (6)0.063 (5)0.058 (6)0.014 (4)0.008 (5)0.013 (4)
C9B0.052 (5)0.054 (4)0.049 (5)0.017 (4)0.013 (4)0.014 (4)
C10B0.060 (6)0.067 (6)0.066 (6)0.026 (5)0.015 (5)0.007 (5)
C11B0.070 (7)0.063 (5)0.054 (5)0.028 (5)0.018 (5)0.019 (4)
C12B0.050 (5)0.049 (4)0.056 (5)0.012 (4)0.017 (4)0.010 (4)
C13B0.065 (7)0.076 (6)0.063 (6)0.032 (5)0.034 (5)0.024 (5)
C14B0.059 (6)0.062 (6)0.083 (8)0.024 (5)0.019 (6)0.017 (5)
C15B0.055 (7)0.063 (6)0.087 (9)0.019 (5)0.006 (6)0.004 (6)
C16B0.072 (8)0.061 (6)0.076 (7)0.030 (5)0.025 (6)0.021 (5)
C17B0.058 (7)0.068 (7)0.073 (7)0.020 (5)0.007 (6)0.001 (5)
Geometric parameters (Å, º) top
C1A—O1A1.196 (13)C1B—O1B1.216 (13)
C1A—C2A1.501 (14)C1B—C2B1.486 (15)
C1A—C5A1.520 (15)C1B—C5B1.502 (15)
C2A—C6A1.331 (15)C2B—C6B1.363 (15)
C2A—C3A1.500 (15)C2B—C3B1.492 (14)
C3A—C4A1.552 (13)C3B—C4B1.552 (13)
C3A—H31A0.9900C3B—H31B0.9900
C3A—H32A0.9900C3B—H32B0.9900
C4A—C8A1.504 (14)C4B—C8B1.478 (15)
C4A—C5A1.524 (13)C4B—C5B1.517 (14)
C4A—H4A1.0000C4B—H4B1.0000
C5A—H51A0.9900C5B—H51B0.9900
C5A—H52A0.9900C5B—H52B0.9900
C6A—C7A1.494 (14)C6B—C7B1.485 (14)
C6A—H6A0.9500C6B—H6B0.9500
C7A—H71A0.9800C7B—H71B0.9800
C7A—H72A0.9800C7B—H72B0.9800
C7A—H73A0.9800C7B—H73B0.9800
Fe1A—C11A2.033 (14)Fe1B—C14B2.013 (16)
Fe1A—C12A2.034 (13)Fe1B—C16B2.024 (12)
Fe1A—C9A2.035 (10)Fe1B—C15B2.024 (15)
Fe1A—C17A2.038 (12)Fe1B—C10B2.040 (13)
Fe1A—C8A2.040 (11)Fe1B—C13B2.047 (13)
Fe1A—C14A2.042 (13)Fe1B—C17B2.049 (12)
Fe1A—C15A2.045 (14)Fe1B—C9B2.050 (10)
Fe1A—C10A2.051 (12)Fe1B—C12B2.056 (12)
Fe1A—C16A2.052 (12)Fe1B—C11B2.060 (13)
Fe1A—C13A2.054 (14)Fe1B—C8B2.083 (13)
C8A—C12A1.427 (17)C8B—C12B1.438 (15)
C8A—C9A1.456 (14)C8B—C9B1.442 (15)
C9A—C10A1.440 (16)C9B—C10B1.413 (17)
C9A—H9A0.9500C9B—H9B0.9500
C10A—C11A1.412 (16)C10B—C11B1.399 (17)
C10A—H10A0.9500C10B—H10B0.9500
C11A—C12A1.412 (16)C11B—C12B1.420 (15)
C11A—H11A0.9500C11B—H11B0.9500
C12A—H12A0.9500C12B—H12B0.9500
C13A—C14A1.408 (18)C13B—C17B1.382 (19)
C13A—C17A1.438 (19)C13B—C14B1.422 (17)
C13A—H13A0.9500C13B—H13B0.9500
C14A—C15A1.41 (2)C14B—C15B1.39 (2)
C14A—H14A0.9500C14B—H14B0.9500
C15A—C16A1.46 (2)C15B—C16B1.403 (18)
C15A—H15A0.9500C15B—H15B0.9500
C16A—C17A1.415 (19)C16B—C17B1.413 (18)
C16A—H16A0.9500C16B—H16B0.9500
C17A—H17A0.9500C17B—H17B0.9500
O1A—C1A—C2A126.4 (10)O1B—C1B—C2B125.8 (10)
O1A—C1A—C5A126.4 (10)O1B—C1B—C5B127.3 (10)
C2A—C1A—C5A107.1 (9)C2B—C1B—C5B106.9 (8)
C6A—C2A—C3A130.7 (10)C6B—C2B—C1B122.2 (10)
C6A—C2A—C1A120.1 (9)C6B—C2B—C3B129.1 (10)
C3A—C2A—C1A109.2 (8)C1B—C2B—C3B108.6 (9)
C2A—C3A—C4A105.2 (8)C2B—C3B—C4B102.4 (8)
C2A—C3A—H31A110.7C2B—C3B—H31B111.3
C4A—C3A—H31A110.7C4B—C3B—H31B111.3
C2A—C3A—H32A110.7C2B—C3B—H32B111.3
C4A—C3A—H32A110.7C4B—C3B—H32B111.3
H31A—C3A—H32A108.8H31B—C3B—H32B109.2
C8A—C4A—C5A114.5 (9)C8B—C4B—C5B117.6 (9)
C8A—C4A—C3A113.8 (9)C8B—C4B—C3B116.6 (8)
C5A—C4A—C3A105.2 (8)C5B—C4B—C3B102.9 (8)
C8A—C4A—H4A107.7C8B—C4B—H4B106.3
C5A—C4A—H4A107.7C5B—C4B—H4B106.3
C3A—C4A—H4A107.7C3B—C4B—H4B106.3
C1A—C5A—C4A105.4 (9)C1B—C5B—C4B103.4 (8)
C1A—C5A—H51A110.7C1B—C5B—H51B111.1
C4A—C5A—H51A110.7C4B—C5B—H51B111.1
C1A—C5A—H52A110.7C1B—C5B—H52B111.1
C4A—C5A—H52A110.7C4B—C5B—H52B111.1
H51A—C5A—H52A108.8H51B—C5B—H52B109.0
C2A—C6A—C7A125.1 (11)C2B—C6B—C7B125.9 (10)
C2A—C6A—H6A117.4C2B—C6B—H6B117.1
C7A—C6A—H6A117.4C7B—C6B—H6B117.1
C6A—C7A—H71A109.5C6B—C7B—H71B109.5
C6A—C7A—H72A109.5C6B—C7B—H72B109.5
H71A—C7A—H72A109.5H71B—C7B—H72B109.5
C6A—C7A—H73A109.5C6B—C7B—H73B109.5
H71A—C7A—H73A109.5H71B—C7B—H73B109.5
H72A—C7A—H73A109.5H72B—C7B—H73B109.5
C11A—Fe1A—C12A40.6 (5)C14B—Fe1B—C16B67.8 (5)
C11A—Fe1A—C9A69.3 (4)C14B—Fe1B—C15B40.2 (6)
C12A—Fe1A—C9A69.2 (4)C16B—Fe1B—C15B40.6 (5)
C11A—Fe1A—C17A120.3 (5)C14B—Fe1B—C10B125.1 (5)
C12A—Fe1A—C17A108.8 (5)C16B—Fe1B—C10B119.6 (5)
C9A—Fe1A—C17A163.8 (5)C15B—Fe1B—C10B106.8 (5)
C11A—Fe1A—C8A69.4 (5)C14B—Fe1B—C13B41.0 (5)
C12A—Fe1A—C8A41.0 (5)C16B—Fe1B—C13B67.8 (5)
C9A—Fe1A—C8A41.9 (4)C15B—Fe1B—C13B68.3 (6)
C17A—Fe1A—C8A126.2 (5)C10B—Fe1B—C13B163.3 (5)
C11A—Fe1A—C14A164.8 (5)C14B—Fe1B—C17B67.4 (6)
C12A—Fe1A—C14A152.0 (5)C16B—Fe1B—C17B40.6 (5)
C9A—Fe1A—C14A104.8 (5)C15B—Fe1B—C17B68.0 (5)
C17A—Fe1A—C14A69.0 (5)C10B—Fe1B—C17B155.2 (5)
C8A—Fe1A—C14A116.3 (5)C13B—Fe1B—C17B39.4 (5)
C11A—Fe1A—C15A128.7 (5)C14B—Fe1B—C9B109.1 (5)
C12A—Fe1A—C15A166.9 (5)C16B—Fe1B—C9B155.1 (4)
C9A—Fe1A—C15A117.2 (5)C15B—Fe1B—C9B120.9 (4)
C17A—Fe1A—C15A68.3 (5)C10B—Fe1B—C9B40.4 (5)
C8A—Fe1A—C15A151.1 (5)C13B—Fe1B—C9B127.2 (4)
C14A—Fe1A—C15A40.3 (6)C17B—Fe1B—C9B163.2 (4)
C11A—Fe1A—C10A40.4 (4)C14B—Fe1B—C12B158.8 (5)
C12A—Fe1A—C10A68.1 (5)C16B—Fe1B—C12B123.4 (5)
C9A—Fe1A—C10A41.3 (5)C15B—Fe1B—C12B159.6 (5)
C17A—Fe1A—C10A154.2 (5)C10B—Fe1B—C12B67.8 (5)
C8A—Fe1A—C10A69.4 (5)C13B—Fe1B—C12B122.4 (5)
C14A—Fe1A—C10A126.2 (5)C17B—Fe1B—C12B108.2 (5)
C15A—Fe1A—C10A108.5 (5)C9B—Fe1B—C12B68.6 (4)
C11A—Fe1A—C16A108.8 (5)C14B—Fe1B—C11B160.1 (4)
C12A—Fe1A—C16A127.9 (5)C16B—Fe1B—C11B106.1 (5)
C9A—Fe1A—C16A153.1 (4)C15B—Fe1B—C11B123.0 (6)
C17A—Fe1A—C16A40.5 (5)C10B—Fe1B—C11B39.9 (5)
C8A—Fe1A—C16A164.6 (5)C13B—Fe1B—C11B156.2 (5)
C14A—Fe1A—C16A69.7 (6)C17B—Fe1B—C11B121.1 (5)
C15A—Fe1A—C16A41.7 (6)C9B—Fe1B—C11B68.0 (4)
C10A—Fe1A—C16A119.8 (5)C12B—Fe1B—C11B40.4 (4)
C11A—Fe1A—C13A154.5 (5)C14B—Fe1B—C8B123.8 (5)
C12A—Fe1A—C13A119.6 (5)C16B—Fe1B—C8B161.4 (5)
C9A—Fe1A—C13A124.8 (5)C15B—Fe1B—C8B157.5 (5)
C17A—Fe1A—C13A41.1 (5)C10B—Fe1B—C8B67.8 (5)
C8A—Fe1A—C13A105.9 (5)C13B—Fe1B—C8B110.3 (5)
C14A—Fe1A—C13A40.2 (5)C17B—Fe1B—C8B126.1 (5)
C15A—Fe1A—C13A67.4 (6)C9B—Fe1B—C8B40.8 (4)
C10A—Fe1A—C13A163.3 (5)C12B—Fe1B—C8B40.7 (4)
C16A—Fe1A—C13A68.7 (6)C11B—Fe1B—C8B67.8 (5)
C12A—C8A—C9A106.6 (9)C12B—C8B—C9B107.0 (9)
C12A—C8A—C4A130.5 (9)C12B—C8B—C4B125.1 (9)
C9A—C8A—C4A122.8 (10)C9B—C8B—C4B127.1 (10)
C12A—C8A—Fe1A69.3 (6)C12B—C8B—Fe1B68.7 (7)
C9A—C8A—Fe1A68.9 (6)C9B—C8B—Fe1B68.4 (7)
C4A—C8A—Fe1A124.8 (9)C4B—C8B—Fe1B135.9 (9)
C10A—C9A—C8A107.2 (9)C10B—C9B—C8B107.3 (10)
C10A—C9A—Fe1A70.0 (6)C10B—C9B—Fe1B69.4 (7)
C8A—C9A—Fe1A69.2 (6)C8B—C9B—Fe1B70.8 (6)
C10A—C9A—H9A126.4C10B—C9B—H9B126.3
C8A—C9A—H9A126.4C8B—C9B—H9B126.3
Fe1A—C9A—H9A126.0Fe1B—C9B—H9B125.0
C11A—C10A—C9A108.5 (10)C11B—C10B—C9B109.5 (10)
C11A—C10A—Fe1A69.1 (7)C11B—C10B—Fe1B70.8 (7)
C9A—C10A—Fe1A68.8 (7)C9B—C10B—Fe1B70.1 (7)
C11A—C10A—H10A125.7C11B—C10B—H10B125.3
C9A—C10A—H10A125.7C9B—C10B—H10B125.3
Fe1A—C10A—H10A127.9Fe1B—C10B—H10B125.4
C10A—C11A—C12A108.2 (10)C10B—C11B—C12B108.2 (10)
C10A—C11A—Fe1A70.4 (8)C10B—C11B—Fe1B69.3 (8)
C12A—C11A—Fe1A69.7 (8)C12B—C11B—Fe1B69.6 (7)
C10A—C11A—H11A125.9C10B—C11B—H11B125.9
C12A—C11A—H11A125.9C12B—C11B—H11B125.9
Fe1A—C11A—H11A125.6Fe1B—C11B—H11B126.8
C11A—C12A—C8A109.5 (10)C11B—C12B—C8B107.9 (9)
C11A—C12A—Fe1A69.7 (8)C11B—C12B—Fe1B70.0 (7)
C8A—C12A—Fe1A69.7 (7)C8B—C12B—Fe1B70.7 (7)
C11A—C12A—H12A125.3C11B—C12B—H12B126.0
C8A—C12A—H12A125.3C8B—C12B—H12B126.0
Fe1A—C12A—H12A126.9Fe1B—C12B—H12B124.9
C14A—C13A—C17A108.5 (12)C17B—C13B—C14B107.1 (11)
C14A—C13A—Fe1A69.5 (7)C17B—C13B—Fe1B70.4 (8)
C17A—C13A—Fe1A68.8 (8)C14B—C13B—Fe1B68.2 (8)
C14A—C13A—H13A125.7C17B—C13B—H13B126.5
C17A—C13A—H13A125.7C14B—C13B—H13B126.5
Fe1A—C13A—H13A127.6Fe1B—C13B—H13B126.5
C13A—C14A—C15A107.7 (12)C15B—C14B—C13B108.9 (11)
C13A—C14A—Fe1A70.3 (8)C15B—C14B—Fe1B70.3 (10)
C15A—C14A—Fe1A70.0 (8)C13B—C14B—Fe1B70.8 (8)
C13A—C14A—H14A126.2C15B—C14B—H14B125.6
C15A—C14A—H14A126.2C13B—C14B—H14B125.6
Fe1A—C14A—H14A125.1Fe1B—C14B—H14B124.9
C14A—C15A—C16A109.3 (11)C14B—C15B—C16B107.5 (11)
C14A—C15A—Fe1A69.7 (7)C14B—C15B—Fe1B69.5 (8)
C16A—C15A—Fe1A69.4 (8)C16B—C15B—Fe1B69.7 (8)
C14A—C15A—H15A125.4C14B—C15B—H15B126.2
C16A—C15A—H15A125.4C16B—C15B—H15B126.2
Fe1A—C15A—H15A127.1Fe1B—C15B—H15B126.2
C17A—C16A—C15A105.8 (12)C15B—C16B—C17B107.9 (12)
C17A—C16A—Fe1A69.2 (7)C15B—C16B—Fe1B69.7 (8)
C15A—C16A—Fe1A68.9 (7)C17B—C16B—Fe1B70.7 (7)
C17A—C16A—H16A127.1C15B—C16B—H16B126.0
C15A—C16A—H16A127.1C17B—C16B—H16B126.0
Fe1A—C16A—H16A126.4Fe1B—C16B—H16B125.1
C16A—C17A—C13A108.7 (12)C13B—C17B—C16B108.6 (11)
C16A—C17A—Fe1A70.3 (7)C13B—C17B—Fe1B70.2 (7)
C13A—C17A—Fe1A70.0 (7)C16B—C17B—Fe1B68.7 (7)
C16A—C17A—H17A125.6C13B—C17B—H17B125.7
C13A—C17A—H17A125.6C16B—C17B—H17B125.7
Fe1A—C17A—H17A125.6Fe1B—C17B—H17B126.9
O1A—C1A—C2A—C6A3 (2)O1B—C1B—C2B—C6B1 (2)
C5A—C1A—C2A—C6A173.1 (13)C5B—C1B—C2B—C6B179.5 (12)
O1A—C1A—C2A—C3A178.9 (14)O1B—C1B—C2B—C3B179.2 (12)
C5A—C1A—C2A—C3A5.4 (15)C5B—C1B—C2B—C3B1.4 (14)
C6A—C2A—C3A—C4A169.5 (14)C6B—C2B—C3B—C4B155.7 (13)
C1A—C2A—C3A—C4A12.3 (14)C1B—C2B—C3B—C4B22.2 (13)
C2A—C3A—C4A—C8A151.3 (10)C2B—C3B—C4B—C8B167.4 (10)
C2A—C3A—C4A—C5A25.2 (13)C2B—C3B—C4B—C5B37.1 (11)
O1A—C1A—C5A—C4A163.0 (14)O1B—C1B—C5B—C4B155.6 (12)
C2A—C1A—C5A—C4A21.2 (14)C2B—C1B—C5B—C4B25.0 (12)
C8A—C4A—C5A—C1A154.3 (11)C8B—C4B—C5B—C1B168.0 (10)
C3A—C4A—C5A—C1A28.6 (13)C3B—C4B—C5B—C1B38.3 (11)
C3A—C2A—C6A—C7A0 (2)C1B—C2B—C6B—C7B179.5 (12)
C1A—C2A—C6A—C7A178.5 (13)C3B—C2B—C6B—C7B3 (2)
C5A—C4A—C8A—C12A122.3 (14)C5B—C4B—C8B—C12B173.6 (11)
C3A—C4A—C8A—C12A1.2 (18)C3B—C4B—C8B—C12B50.6 (17)
C5A—C4A—C8A—C9A60.4 (16)C5B—C4B—C8B—C9B17.9 (18)
C3A—C4A—C8A—C9A178.6 (11)C3B—C4B—C8B—C9B140.9 (13)
C5A—C4A—C8A—Fe1A146.2 (9)C5B—C4B—C8B—Fe1B78.7 (13)
C3A—C4A—C8A—Fe1A92.8 (11)C3B—C4B—C8B—Fe1B44.3 (16)
C11A—Fe1A—C8A—C12A36.6 (7)C14B—Fe1B—C8B—C12B160.4 (6)
C9A—Fe1A—C8A—C12A118.2 (10)C16B—Fe1B—C8B—C12B36.2 (19)
C17A—Fe1A—C8A—C12A76.6 (8)C15B—Fe1B—C8B—C12B161.5 (12)
C14A—Fe1A—C8A—C12A158.8 (7)C10B—Fe1B—C8B—C12B81.3 (7)
C15A—Fe1A—C8A—C12A171.1 (10)C13B—Fe1B—C8B—C12B116.5 (7)
C10A—Fe1A—C8A—C12A79.9 (7)C17B—Fe1B—C8B—C12B75.1 (9)
C16A—Fe1A—C8A—C12A49 (2)C9B—Fe1B—C8B—C12B119.5 (9)
C13A—Fe1A—C8A—C12A117.0 (7)C11B—Fe1B—C8B—C12B38.0 (6)
C11A—Fe1A—C8A—C9A81.7 (7)C14B—Fe1B—C8B—C9B80.1 (8)
C12A—Fe1A—C8A—C9A118.2 (10)C16B—Fe1B—C8B—C9B155.7 (15)
C17A—Fe1A—C8A—C9A165.2 (7)C15B—Fe1B—C8B—C9B42.0 (16)
C14A—Fe1A—C8A—C9A82.9 (8)C10B—Fe1B—C8B—C9B38.2 (7)
C15A—Fe1A—C8A—C9A52.8 (13)C13B—Fe1B—C8B—C9B124.0 (7)
C10A—Fe1A—C8A—C9A38.3 (7)C17B—Fe1B—C8B—C9B165.4 (8)
C16A—Fe1A—C8A—C9A168 (2)C12B—Fe1B—C8B—C9B119.5 (9)
C13A—Fe1A—C8A—C9A124.8 (8)C11B—Fe1B—C8B—C9B81.5 (7)
C11A—Fe1A—C8A—C4A162.3 (10)C14B—Fe1B—C8B—C4B41.4 (13)
C12A—Fe1A—C8A—C4A125.7 (11)C16B—Fe1B—C8B—C4B83 (2)
C9A—Fe1A—C8A—C4A116.1 (12)C15B—Fe1B—C8B—C4B79.6 (18)
C17A—Fe1A—C8A—C4A49.1 (11)C10B—Fe1B—C8B—C4B159.8 (13)
C14A—Fe1A—C8A—C4A33.2 (10)C13B—Fe1B—C8B—C4B2.4 (13)
C15A—Fe1A—C8A—C4A63.2 (14)C17B—Fe1B—C8B—C4B43.8 (14)
C10A—Fe1A—C8A—C4A154.4 (10)C9B—Fe1B—C8B—C4B121.5 (15)
C16A—Fe1A—C8A—C4A76 (2)C12B—Fe1B—C8B—C4B118.9 (13)
C13A—Fe1A—C8A—C4A8.7 (10)C11B—Fe1B—C8B—C4B156.9 (13)
C12A—C8A—C9A—C10A0.7 (14)C12B—C8B—C9B—C10B2.1 (14)
C4A—C8A—C9A—C10A178.6 (11)C4B—C8B—C9B—C10B168.0 (12)
Fe1A—C8A—C9A—C10A60.0 (8)Fe1B—C8B—C9B—C10B60.1 (9)
C12A—C8A—C9A—Fe1A59.3 (8)C12B—C8B—C9B—Fe1B58.0 (8)
C4A—C8A—C9A—Fe1A118.6 (12)C4B—C8B—C9B—Fe1B131.9 (13)
C11A—Fe1A—C9A—C10A36.5 (7)C14B—Fe1B—C9B—C10B122.2 (8)
C12A—Fe1A—C9A—C10A80.1 (7)C16B—Fe1B—C9B—C10B43.9 (15)
C17A—Fe1A—C9A—C10A166.1 (17)C15B—Fe1B—C9B—C10B79.4 (9)
C8A—Fe1A—C9A—C10A118.3 (10)C13B—Fe1B—C9B—C10B164.4 (8)
C14A—Fe1A—C9A—C10A128.7 (7)C17B—Fe1B—C9B—C10B162.6 (18)
C15A—Fe1A—C9A—C10A87.3 (9)C12B—Fe1B—C9B—C10B80.4 (8)
C16A—Fe1A—C9A—C10A54.5 (15)C11B—Fe1B—C9B—C10B36.8 (7)
C13A—Fe1A—C9A—C10A167.6 (8)C8B—Fe1B—C9B—C10B117.9 (11)
C11A—Fe1A—C9A—C8A81.8 (8)C14B—Fe1B—C9B—C8B120.0 (7)
C12A—Fe1A—C9A—C8A38.2 (7)C16B—Fe1B—C9B—C8B161.8 (12)
C17A—Fe1A—C9A—C8A48 (2)C15B—Fe1B—C9B—C8B162.7 (8)
C14A—Fe1A—C9A—C8A113.0 (8)C10B—Fe1B—C9B—C8B117.9 (10)
C15A—Fe1A—C9A—C8A154.4 (8)C13B—Fe1B—C9B—C8B77.7 (9)
C10A—Fe1A—C9A—C8A118.3 (10)C17B—Fe1B—C9B—C8B45 (2)
C16A—Fe1A—C9A—C8A172.8 (12)C12B—Fe1B—C9B—C8B37.5 (7)
C13A—Fe1A—C9A—C8A74.1 (9)C11B—Fe1B—C9B—C8B81.1 (8)
C8A—C9A—C10A—C11A1.7 (14)C8B—C9B—C10B—C11B0.9 (16)
Fe1A—C9A—C10A—C11A57.8 (9)Fe1B—C9B—C10B—C11B60.1 (9)
C8A—C9A—C10A—Fe1A59.5 (8)C8B—C9B—C10B—Fe1B61.0 (9)
C12A—Fe1A—C10A—C11A37.9 (7)C14B—Fe1B—C10B—C11B161.9 (6)
C9A—Fe1A—C10A—C11A120.8 (10)C16B—Fe1B—C10B—C11B79.5 (9)
C17A—Fe1A—C10A—C11A50.4 (14)C15B—Fe1B—C10B—C11B121.7 (8)
C8A—Fe1A—C10A—C11A82.0 (7)C13B—Fe1B—C10B—C11B168.1 (16)
C14A—Fe1A—C10A—C11A169.9 (7)C17B—Fe1B—C10B—C11B48.0 (16)
C15A—Fe1A—C10A—C11A128.6 (8)C9B—Fe1B—C10B—C11B120.1 (10)
C16A—Fe1A—C10A—C11A84.3 (8)C12B—Fe1B—C10B—C11B37.4 (6)
C13A—Fe1A—C10A—C11A158.7 (17)C8B—Fe1B—C10B—C11B81.5 (7)
C11A—Fe1A—C10A—C9A120.8 (10)C14B—Fe1B—C10B—C9B78.0 (9)
C12A—Fe1A—C10A—C9A83.0 (7)C16B—Fe1B—C10B—C9B160.4 (7)
C17A—Fe1A—C10A—C9A171.2 (11)C15B—Fe1B—C10B—C9B118.2 (8)
C8A—Fe1A—C10A—C9A38.9 (7)C13B—Fe1B—C10B—C9B48 (2)
C14A—Fe1A—C10A—C9A69.3 (9)C17B—Fe1B—C10B—C9B168.1 (11)
C15A—Fe1A—C10A—C9A110.6 (8)C12B—Fe1B—C10B—C9B82.7 (7)
C16A—Fe1A—C10A—C9A154.9 (7)C11B—Fe1B—C10B—C9B120.1 (10)
C13A—Fe1A—C10A—C9A38 (2)C8B—Fe1B—C10B—C9B38.6 (7)
C9A—C10A—C11A—C12A2.1 (15)C9B—C10B—C11B—C12B0.8 (16)
Fe1A—C10A—C11A—C12A59.7 (9)Fe1B—C10B—C11B—C12B58.9 (9)
C9A—C10A—C11A—Fe1A57.6 (9)C9B—C10B—C11B—Fe1B59.7 (10)
C12A—Fe1A—C11A—C10A119.0 (9)C14B—Fe1B—C11B—C10B48.2 (16)
C9A—Fe1A—C11A—C10A37.2 (7)C16B—Fe1B—C11B—C10B117.1 (7)
C17A—Fe1A—C11A—C10A157.1 (7)C15B—Fe1B—C11B—C10B76.2 (8)
C8A—Fe1A—C11A—C10A82.1 (7)C13B—Fe1B—C11B—C10B171.6 (11)
C14A—Fe1A—C11A—C10A33 (2)C17B—Fe1B—C11B—C10B158.6 (7)
C15A—Fe1A—C11A—C10A71.7 (9)C9B—Fe1B—C11B—C10B37.3 (7)
C16A—Fe1A—C11A—C10A114.2 (7)C12B—Fe1B—C11B—C10B119.8 (9)
C13A—Fe1A—C11A—C10A166.0 (11)C8B—Fe1B—C11B—C10B81.5 (7)
C9A—Fe1A—C11A—C12A81.8 (7)C14B—Fe1B—C11B—C12B167.9 (11)
C17A—Fe1A—C11A—C12A83.8 (8)C16B—Fe1B—C11B—C12B123.1 (6)
C8A—Fe1A—C11A—C12A36.9 (6)C15B—Fe1B—C11B—C12B164.0 (6)
C14A—Fe1A—C11A—C12A151.7 (17)C10B—Fe1B—C11B—C12B119.8 (9)
C15A—Fe1A—C11A—C12A169.3 (7)C13B—Fe1B—C11B—C12B51.8 (13)
C10A—Fe1A—C11A—C12A119.0 (9)C17B—Fe1B—C11B—C12B81.6 (7)
C16A—Fe1A—C11A—C12A126.8 (7)C9B—Fe1B—C11B—C12B82.5 (6)
C13A—Fe1A—C11A—C12A47.0 (14)C8B—Fe1B—C11B—C12B38.3 (5)
C10A—C11A—C12A—C8A1.7 (16)C10B—C11B—C12B—C8B2.1 (14)
Fe1A—C11A—C12A—C8A58.5 (9)Fe1B—C11B—C12B—C8B60.8 (9)
C10A—C11A—C12A—Fe1A60.2 (10)C10B—C11B—C12B—Fe1B58.7 (9)
C9A—C8A—C12A—C11A0.6 (15)C9B—C8B—C12B—C11B2.6 (14)
C4A—C8A—C12A—C11A177.1 (12)C4B—C8B—C12B—C11B167.8 (12)
Fe1A—C8A—C12A—C11A58.4 (9)Fe1B—C8B—C12B—C11B60.4 (8)
C9A—C8A—C12A—Fe1A59.0 (8)C9B—C8B—C12B—Fe1B57.8 (9)
C4A—C8A—C12A—Fe1A118.6 (14)C4B—C8B—C12B—Fe1B131.8 (12)
C9A—Fe1A—C12A—C11A82.1 (7)C14B—Fe1B—C12B—C11B168.7 (11)
C17A—Fe1A—C12A—C11A114.9 (7)C16B—Fe1B—C12B—C11B74.7 (8)
C8A—Fe1A—C12A—C11A121.1 (9)C15B—Fe1B—C12B—C11B41.4 (14)
C14A—Fe1A—C12A—C11A164.6 (9)C10B—Fe1B—C12B—C11B37.0 (6)
C15A—Fe1A—C12A—C11A40 (2)C13B—Fe1B—C12B—C11B158.0 (6)
C10A—Fe1A—C12A—C11A37.7 (6)C17B—Fe1B—C12B—C11B116.9 (7)
C16A—Fe1A—C12A—C11A73.8 (8)C9B—Fe1B—C12B—C11B80.7 (6)
C13A—Fe1A—C12A—C11A158.8 (7)C8B—Fe1B—C12B—C11B118.3 (8)
C11A—Fe1A—C12A—C8A121.1 (9)C14B—Fe1B—C12B—C8B50.3 (13)
C9A—Fe1A—C12A—C8A39.0 (6)C16B—Fe1B—C12B—C8B166.9 (7)
C17A—Fe1A—C12A—C8A124.0 (7)C15B—Fe1B—C12B—C8B159.7 (11)
C14A—Fe1A—C12A—C8A43.6 (12)C10B—Fe1B—C12B—C8B81.3 (7)
C15A—Fe1A—C12A—C8A160.8 (19)C13B—Fe1B—C12B—C8B83.7 (7)
C10A—Fe1A—C12A—C8A83.4 (7)C17B—Fe1B—C12B—C8B124.8 (7)
C16A—Fe1A—C12A—C8A165.2 (7)C9B—Fe1B—C12B—C8B37.7 (6)
C13A—Fe1A—C12A—C8A80.1 (8)C11B—Fe1B—C12B—C8B118.3 (8)
C11A—Fe1A—C13A—C14A172.5 (10)C14B—Fe1B—C13B—C17B118.6 (11)
C12A—Fe1A—C13A—C14A154.3 (7)C16B—Fe1B—C13B—C17B37.4 (8)
C9A—Fe1A—C13A—C14A70.2 (9)C15B—Fe1B—C13B—C17B81.3 (8)
C17A—Fe1A—C13A—C14A120.6 (11)C10B—Fe1B—C13B—C17B157.1 (16)
C8A—Fe1A—C13A—C14A112.1 (8)C9B—Fe1B—C13B—C17B165.7 (7)
C15A—Fe1A—C13A—C14A38.1 (8)C12B—Fe1B—C13B—C17B79.1 (8)
C10A—Fe1A—C13A—C14A41 (2)C11B—Fe1B—C13B—C17B42.0 (15)
C16A—Fe1A—C13A—C14A83.3 (9)C8B—Fe1B—C13B—C17B122.8 (8)
C11A—Fe1A—C13A—C17A51.9 (15)C16B—Fe1B—C13B—C14B81.2 (8)
C12A—Fe1A—C13A—C17A85.1 (8)C15B—Fe1B—C13B—C14B37.3 (7)
C9A—Fe1A—C13A—C17A169.2 (7)C10B—Fe1B—C13B—C14B38 (2)
C8A—Fe1A—C13A—C17A127.3 (7)C17B—Fe1B—C13B—C14B118.6 (11)
C14A—Fe1A—C13A—C17A120.6 (11)C9B—Fe1B—C13B—C14B75.7 (8)
C15A—Fe1A—C13A—C17A82.5 (9)C12B—Fe1B—C13B—C14B162.3 (6)
C10A—Fe1A—C13A—C17A161.3 (17)C11B—Fe1B—C13B—C14B160.6 (10)
C16A—Fe1A—C13A—C17A37.3 (8)C8B—Fe1B—C13B—C14B118.6 (7)
C17A—C13A—C14A—C15A2.4 (16)C17B—C13B—C14B—C15B0.4 (17)
Fe1A—C13A—C14A—C15A60.3 (9)Fe1B—C13B—C14B—C15B60.3 (11)
C17A—C13A—C14A—Fe1A57.8 (10)C17B—C13B—C14B—Fe1B59.9 (10)
C11A—Fe1A—C14A—C13A167.7 (16)C16B—Fe1B—C14B—C15B38.0 (7)
C12A—Fe1A—C14A—C13A53.4 (13)C10B—Fe1B—C14B—C15B73.4 (8)
C9A—Fe1A—C14A—C13A126.9 (8)C13B—Fe1B—C14B—C15B119.2 (10)
C17A—Fe1A—C14A—C13A37.4 (8)C17B—Fe1B—C14B—C15B82.1 (8)
C8A—Fe1A—C14A—C13A83.7 (8)C9B—Fe1B—C14B—C15B115.6 (7)
C15A—Fe1A—C14A—C13A118.2 (11)C12B—Fe1B—C14B—C15B164.3 (10)
C10A—Fe1A—C14A—C13A166.6 (8)C11B—Fe1B—C14B—C15B37.6 (16)
C16A—Fe1A—C14A—C13A80.8 (8)C8B—Fe1B—C14B—C15B158.6 (6)
C11A—Fe1A—C14A—C15A49 (2)C16B—Fe1B—C14B—C13B81.2 (7)
C12A—Fe1A—C14A—C15A171.7 (9)C15B—Fe1B—C14B—C13B119.2 (10)
C9A—Fe1A—C14A—C15A114.8 (7)C10B—Fe1B—C14B—C13B167.4 (7)
C17A—Fe1A—C14A—C15A80.9 (8)C17B—Fe1B—C14B—C13B37.2 (7)
C8A—Fe1A—C14A—C15A158.1 (7)C9B—Fe1B—C14B—C13B125.2 (7)
C10A—Fe1A—C14A—C15A75.2 (9)C12B—Fe1B—C14B—C13B45.1 (14)
C16A—Fe1A—C14A—C15A37.5 (7)C11B—Fe1B—C14B—C13B156.9 (12)
C13A—Fe1A—C14A—C15A118.2 (11)C8B—Fe1B—C14B—C13B82.2 (8)
C13A—C14A—C15A—C16A2.3 (16)C13B—C14B—C15B—C16B1.0 (17)
Fe1A—C14A—C15A—C16A58.2 (11)Fe1B—C14B—C15B—C16B59.6 (11)
C13A—C14A—C15A—Fe1A60.5 (10)C13B—C14B—C15B—Fe1B60.6 (10)
C11A—Fe1A—C15A—C14A165.2 (7)C16B—Fe1B—C15B—C14B118.8 (11)
C12A—Fe1A—C15A—C14A162.6 (19)C10B—Fe1B—C15B—C14B125.0 (7)
C9A—Fe1A—C15A—C14A80.7 (8)C13B—Fe1B—C15B—C14B38.0 (7)
C17A—Fe1A—C15A—C14A82.6 (8)C17B—Fe1B—C15B—C14B80.7 (8)
C8A—Fe1A—C15A—C14A44.0 (13)C9B—Fe1B—C15B—C14B83.3 (8)
C10A—Fe1A—C15A—C14A124.7 (7)C12B—Fe1B—C15B—C14B163.7 (11)
C16A—Fe1A—C15A—C14A121.0 (11)C11B—Fe1B—C15B—C14B165.6 (7)
C13A—Fe1A—C15A—C14A38.0 (7)C8B—Fe1B—C15B—C14B52.6 (16)
C11A—Fe1A—C15A—C16A73.8 (9)C14B—Fe1B—C15B—C16B118.8 (11)
C12A—Fe1A—C15A—C16A42 (2)C10B—Fe1B—C15B—C16B116.2 (8)
C9A—Fe1A—C15A—C16A158.3 (8)C13B—Fe1B—C15B—C16B80.7 (8)
C17A—Fe1A—C15A—C16A38.4 (8)C17B—Fe1B—C15B—C16B38.1 (8)
C8A—Fe1A—C15A—C16A164.9 (10)C9B—Fe1B—C15B—C16B157.9 (7)
C14A—Fe1A—C15A—C16A121.0 (11)C12B—Fe1B—C15B—C16B44.9 (16)
C10A—Fe1A—C15A—C16A114.3 (8)C11B—Fe1B—C15B—C16B75.6 (9)
C13A—Fe1A—C15A—C16A82.9 (9)C8B—Fe1B—C15B—C16B171.4 (12)
C14A—C15A—C16A—C17A1.2 (16)C14B—C15B—C16B—C17B1.3 (17)
Fe1A—C15A—C16A—C17A59.7 (10)Fe1B—C15B—C16B—C17B60.7 (10)
C14A—C15A—C16A—Fe1A58.4 (10)C14B—C15B—C16B—Fe1B59.4 (11)
C11A—Fe1A—C16A—C17A115.0 (8)C14B—Fe1B—C16B—C15B37.7 (9)
C12A—Fe1A—C16A—C17A73.7 (10)C10B—Fe1B—C16B—C15B81.2 (10)
C9A—Fe1A—C16A—C17A163.8 (10)C13B—Fe1B—C16B—C15B82.1 (9)
C8A—Fe1A—C16A—C17A35 (3)C17B—Fe1B—C16B—C15B118.5 (13)
C14A—Fe1A—C16A—C17A81.1 (9)C9B—Fe1B—C16B—C15B50.1 (16)
C15A—Fe1A—C16A—C17A117.3 (13)C12B—Fe1B—C16B—C15B162.8 (8)
C10A—Fe1A—C16A—C17A158.0 (8)C11B—Fe1B—C16B—C15B122.3 (9)
C13A—Fe1A—C16A—C17A37.9 (8)C8B—Fe1B—C16B—C15B169.7 (15)
C11A—Fe1A—C16A—C15A127.6 (8)C14B—Fe1B—C16B—C17B80.8 (9)
C12A—Fe1A—C16A—C15A169.0 (8)C15B—Fe1B—C16B—C17B118.5 (13)
C9A—Fe1A—C16A—C15A46.5 (16)C10B—Fe1B—C16B—C17B160.3 (9)
C17A—Fe1A—C16A—C15A117.3 (13)C13B—Fe1B—C16B—C17B36.4 (9)
C8A—Fe1A—C16A—C15A152 (2)C9B—Fe1B—C16B—C17B168.5 (11)
C14A—Fe1A—C16A—C15A36.3 (9)C12B—Fe1B—C16B—C17B78.7 (10)
C10A—Fe1A—C16A—C15A84.7 (10)C11B—Fe1B—C16B—C17B119.3 (9)
C13A—Fe1A—C16A—C15A79.4 (9)C8B—Fe1B—C16B—C17B51 (2)
C15A—C16A—C17A—C13A0.3 (16)C14B—C13B—C17B—C16B0.4 (17)
Fe1A—C16A—C17A—C13A59.7 (10)Fe1B—C13B—C17B—C16B58.1 (10)
C15A—C16A—C17A—Fe1A59.5 (9)C14B—C13B—C17B—Fe1B58.5 (9)
C14A—C13A—C17A—C16A1.7 (16)C15B—C16B—C17B—C13B1.0 (17)
Fe1A—C13A—C17A—C16A59.9 (10)Fe1B—C16B—C17B—C13B59.0 (10)
C14A—C13A—C17A—Fe1A58.2 (9)C15B—C16B—C17B—Fe1B60.1 (10)
C11A—Fe1A—C17A—C16A83.6 (10)C14B—Fe1B—C17B—C13B38.6 (8)
C12A—Fe1A—C17A—C16A126.8 (9)C16B—Fe1B—C17B—C13B120.2 (12)
C9A—Fe1A—C17A—C16A153.0 (17)C15B—Fe1B—C17B—C13B82.2 (9)
C8A—Fe1A—C17A—C16A169.2 (9)C10B—Fe1B—C17B—C13B164.5 (12)
C14A—Fe1A—C17A—C16A82.9 (10)C9B—Fe1B—C17B—C13B43 (2)
C15A—Fe1A—C17A—C16A39.5 (10)C12B—Fe1B—C17B—C13B119.2 (8)
C10A—Fe1A—C17A—C16A48.3 (16)C11B—Fe1B—C17B—C13B161.6 (7)
C13A—Fe1A—C17A—C16A119.5 (12)C8B—Fe1B—C17B—C13B77.7 (10)
C11A—Fe1A—C17A—C13A156.9 (7)C14B—Fe1B—C17B—C16B81.7 (9)
C12A—Fe1A—C17A—C13A113.7 (8)C15B—Fe1B—C17B—C16B38.1 (9)
C9A—Fe1A—C17A—C13A34 (2)C10B—Fe1B—C17B—C16B44.3 (17)
C8A—Fe1A—C17A—C13A71.3 (9)C13B—Fe1B—C17B—C16B120.2 (12)
C14A—Fe1A—C17A—C13A36.5 (8)C9B—Fe1B—C17B—C16B163.2 (16)
C15A—Fe1A—C17A—C13A80.0 (9)C12B—Fe1B—C17B—C16B120.5 (9)
C10A—Fe1A—C17A—C13A167.8 (11)C11B—Fe1B—C17B—C16B78.1 (9)
C16A—Fe1A—C17A—C13A119.5 (12)C8B—Fe1B—C17B—C16B162.1 (8)
 

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