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In the title compound, [Fe(C5H5)(C13H10)]PF6, the fluorene skeleton is disordered over two positions and parallel with the cyclo­penta­dienyl ring.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804028077/hg6105sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804028077/hg6105Isup2.hkl
Contains datablock I

CCDC reference: 258652

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.035
  • wR factor = 0.092
  • Data-to-parameter ratio = 10.9

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT213_ALERT_2_B Atom C1# has ADP max/min Ratio ............. 4.30 oblate PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.38 Ratio PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.39 Ratio PLAT301_ALERT_3_B Main Residue Disorder ......................... 41.00 Perc.
Alert level C PLAT213_ALERT_2_C Atom C2# has ADP max/min Ratio ............. 3.10 oblate PLAT213_ALERT_2_C Atom C5' has ADP max/min Ratio ............. 3.50 oblate PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors for C3' PLAT244_ALERT_4_C Low Solvent U(eq) as Compared to Neighbors for P PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 14
0 ALERT level A = In general: serious problem 4 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 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1997-1999); cell refinement: SMART; data reduction: SAINT (Bruker, 1997-2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997b); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997b); molecular graphics: SHELXTL (Sheldrick, 1997a); software used to prepare material for publication: SHELXTL.

(η5-Cyclopentadienyl)(η6-9H-fluorene)iron hexafluorophosphate top
Crystal data top
[Fe(C5H5)(C13H10)]PF6F(000) = 872
Mr = 432.12Dx = 1.728 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 6469 reflections
a = 7.3373 (4) Åθ = 2.3–32.2°
b = 9.5498 (5) ŵ = 1.07 mm1
c = 23.9163 (12) ÅT = 293 K
β = 97.498 (1)°Irregular, orange
V = 1661.48 (15) Å30.18 × 0.13 × 0.13 mm
Z = 4
Data collection top
Bruker AXS SMART1000/P4
diffractometer
3826 independent reflections
Radiation source: fine-focus sealed tube, Bruker AXS SMART1000/P42711 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.022
ω and φ scansθmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1997a)
h = 99
Tmin = 0.780, Tmax = 0.875k = 1112
13243 measured reflectionsl = 3130
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.035Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H-atom parameters constrained
S = 0.97 w = 1/[σ2(Fo2) + (0.0533P)2]
where P = (Fo2 + 2Fc2)/3
3826 reflections(Δ/σ)max = 0.002
352 parametersΔρmax = 0.37 e Å3
39 restraintsΔρmin = 0.31 e Å3
Special details top

Experimental. Crystal decay was monitored by repeating the initial 50 frames at the end of the data collection and analyzing duplicate reflections.

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*/UeqOcc. (<1)
Fe0.69810 (4)0.75548 (3)0.836255 (13)0.03949 (11)
C1A'0.7733 (12)0.9210 (11)0.8861 (5)0.022 (2)0.26
C1'0.625 (3)0.958 (3)0.8438 (12)0.045 (6)0.26
H1'A0.63081.03600.82060.054*0.26
C2'0.471 (3)0.873 (3)0.8395 (13)0.035 (5)0.26
H2'A0.37000.89390.81320.042*0.26
C3'0.466 (6)0.754 (5)0.875 (2)0.052 (9)0.26
H3'A0.36400.69580.86920.063*0.26
C4'0.610 (2)0.7220 (13)0.9176 (7)0.034 (3)0.26
H4'A0.60210.64500.94100.040*0.26
C4A'0.7653 (14)0.8101 (11)0.9241 (4)0.023 (2)0.26
C5A'0.9478 (19)0.803 (2)0.9580 (8)0.024 (3)0.26
C5'1.003 (2)0.7177 (14)1.0020 (5)0.044 (4)0.26
H5'A0.92700.64821.01310.052*0.26
C6'1.183 (3)0.7385 (17)1.0306 (9)0.051 (5)0.26
H6'A1.22400.68501.06220.061*0.26
C7'1.298 (3)0.841 (3)1.0110 (12)0.046 (5)0.26
H7'A1.41940.84641.02810.055*0.26
C8'1.2386 (17)0.9337 (13)0.9671 (6)0.038 (3)0.26
H8'A1.31031.00660.95620.045*0.26
C8A'1.059 (2)0.905 (2)0.9409 (8)0.034 (3)0.26
C9'0.9595 (7)0.9938 (6)0.8938 (3)0.0196 (13)0.26
H9'A1.01890.98920.85990.023*0.26
H9'B0.94961.09080.90510.023*0.26
C1A0.6596 (9)0.7682 (6)0.9207 (2)0.0453 (13)0.74
C10.484 (2)0.7619 (19)0.8857 (8)0.049 (3)0.74
H1A0.39600.69570.89210.059*0.74
C20.4520 (15)0.8584 (15)0.8424 (6)0.061 (3)0.74
H2A0.33970.85790.81930.073*0.74
C30.5870 (15)0.9573 (11)0.8328 (5)0.065 (2)0.74
H3A0.56111.02110.80340.078*0.74
C40.7598 (10)0.9626 (5)0.8661 (3)0.0583 (15)0.74
H4A0.84841.02760.85910.070*0.74
C4A0.7925 (6)0.8670 (6)0.9100 (2)0.0455 (11)0.74
C5A0.9633 (10)0.8413 (9)0.9479 (3)0.0487 (16)0.74
C51.1286 (11)0.9096 (8)0.9535 (3)0.068 (2)0.74
H5A1.14790.98490.93030.081*0.74
C61.2671 (10)0.8635 (12)0.9946 (5)0.084 (3)0.74
H6A1.38050.90840.99980.101*0.74
C71.2341 (13)0.7489 (12)1.0282 (3)0.083 (3)0.74
H7A1.32770.71711.05520.100*0.74
C81.0660 (10)0.6815 (7)1.0223 (2)0.0699 (14)0.74
H8A1.04480.60591.04510.084*0.74
C8A0.9316 (7)0.7302 (8)0.9818 (3)0.0548 (13)0.74
C90.7345 (5)0.6755 (4)0.96793 (15)0.0610 (9)0.74
H9A0.73290.57810.95630.073*0.74
H9B0.66650.68530.99990.073*0.74
C100.8932 (3)0.7317 (2)0.78278 (11)0.0514 (6)
H10A0.97990.79820.77570.062*
C110.7154 (4)0.7159 (3)0.75273 (10)0.0532 (6)
H11A0.66410.76990.72230.064*
C120.6305 (3)0.6039 (3)0.77714 (10)0.0518 (6)
H12A0.51210.57110.76580.062*
C130.7545 (3)0.5495 (2)0.82172 (10)0.0496 (6)
H13A0.73300.47420.84460.060*
C140.9161 (3)0.6292 (2)0.82534 (10)0.0490 (6)
H14A1.02040.61640.85140.059*
P0.71616 (8)0.69766 (7)0.15132 (3)0.04512 (17)
F40.50360 (19)0.70818 (18)0.15856 (7)0.0688 (4)
F10.6821 (2)0.79978 (18)0.09904 (7)0.0741 (5)
F60.92760 (19)0.6862 (2)0.14408 (7)0.0749 (5)
F50.7560 (2)0.8275 (2)0.19250 (9)0.0923 (6)
F30.6747 (2)0.56749 (17)0.11079 (7)0.0830 (5)
F20.7502 (2)0.5947 (2)0.20384 (7)0.0932 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe0.03406 (17)0.04173 (19)0.04241 (19)0.00808 (13)0.00392 (13)0.00467 (15)
C1A'0.027 (5)0.009 (7)0.031 (8)0.005 (5)0.011 (5)0.010 (4)
C1'0.022 (7)0.035 (8)0.082 (16)0.009 (6)0.022 (8)0.003 (8)
C2'0.034 (10)0.033 (9)0.034 (9)0.007 (7)0.005 (7)0.011 (7)
C3'0.043 (11)0.049 (12)0.07 (3)0.001 (9)0.019 (9)0.013 (15)
C4'0.038 (7)0.022 (7)0.044 (6)0.007 (4)0.014 (5)0.008 (5)
C4A'0.027 (5)0.014 (5)0.032 (5)0.009 (4)0.013 (4)0.007 (4)
C5A'0.034 (5)0.022 (8)0.015 (6)0.000 (4)0.006 (4)0.012 (4)
C5'0.070 (12)0.041 (6)0.017 (8)0.007 (7)0.002 (6)0.019 (6)
C6'0.072 (15)0.032 (6)0.049 (8)0.007 (7)0.009 (9)0.020 (6)
C7'0.058 (10)0.044 (8)0.036 (9)0.018 (7)0.003 (6)0.013 (8)
C8'0.045 (7)0.034 (6)0.033 (6)0.010 (5)0.000 (5)0.001 (4)
C8A'0.037 (9)0.035 (6)0.033 (6)0.015 (6)0.012 (6)0.015 (5)
C9'0.019 (3)0.012 (3)0.026 (3)0.004 (2)0.001 (3)0.002 (2)
C1A0.052 (4)0.044 (4)0.041 (2)0.010 (3)0.012 (3)0.004 (3)
C10.046 (4)0.057 (6)0.047 (5)0.005 (3)0.017 (2)0.004 (4)
C20.038 (3)0.071 (8)0.076 (6)0.020 (3)0.017 (3)0.003 (5)
C30.083 (6)0.050 (4)0.064 (4)0.034 (4)0.018 (4)0.001 (3)
C40.083 (4)0.026 (3)0.073 (4)0.003 (3)0.039 (3)0.006 (2)
C4A0.049 (2)0.042 (4)0.049 (4)0.000 (3)0.016 (3)0.012 (2)
C5A0.055 (3)0.051 (5)0.042 (4)0.002 (3)0.013 (3)0.014 (3)
C50.083 (6)0.057 (3)0.071 (6)0.023 (5)0.040 (5)0.029 (4)
C60.048 (4)0.110 (12)0.098 (11)0.020 (6)0.025 (5)0.063 (6)
C70.054 (4)0.147 (8)0.044 (4)0.021 (4)0.010 (3)0.030 (4)
C80.077 (4)0.092 (5)0.041 (3)0.002 (3)0.011 (3)0.003 (3)
C8A0.048 (3)0.074 (4)0.042 (4)0.005 (3)0.006 (2)0.014 (3)
C90.067 (2)0.064 (2)0.056 (2)0.0051 (18)0.0203 (18)0.0051 (18)
C100.0475 (13)0.0551 (15)0.0548 (15)0.0029 (11)0.0186 (11)0.0115 (12)
C110.0609 (16)0.0587 (16)0.0389 (13)0.0144 (12)0.0026 (11)0.0038 (11)
C120.0447 (13)0.0556 (15)0.0527 (15)0.0013 (11)0.0022 (11)0.0160 (12)
C130.0604 (15)0.0384 (13)0.0497 (14)0.0089 (11)0.0063 (12)0.0051 (11)
C140.0403 (12)0.0525 (14)0.0525 (14)0.0161 (10)0.0001 (10)0.0151 (12)
P0.0438 (3)0.0469 (3)0.0436 (4)0.0088 (3)0.0013 (3)0.0025 (3)
F40.0454 (8)0.0887 (11)0.0733 (11)0.0038 (7)0.0115 (7)0.0026 (8)
F10.0624 (10)0.0773 (10)0.0794 (12)0.0005 (8)0.0026 (8)0.0377 (9)
F60.0458 (8)0.0968 (12)0.0816 (12)0.0168 (8)0.0067 (8)0.0082 (10)
F50.0739 (11)0.0874 (13)0.1061 (15)0.0166 (10)0.0238 (10)0.0457 (12)
F30.1011 (13)0.0616 (10)0.0854 (12)0.0023 (9)0.0091 (10)0.0254 (9)
F20.1053 (13)0.1102 (14)0.0658 (11)0.0376 (11)0.0177 (10)0.0417 (10)
Geometric parameters (Å, º) top
Fe—C2'2.02 (4)C1A—C4A1.404 (6)
Fe—C1'2.03 (3)C1A—C11.443 (12)
Fe—C1A'2.013 (11)C1A—C91.484 (6)
Fe—C12.09 (2)C1—C21.383 (12)
Fe—C122.039 (2)C1—H1A0.9300
Fe—C142.047 (2)C2—C31.409 (12)
Fe—C132.050 (2)C2—H2A0.9300
Fe—C102.053 (2)C3—C41.409 (11)
Fe—C112.053 (2)C3—H3A0.9300
Fe—C1A2.078 (6)C4—C4A1.388 (6)
Fe—C22.078 (14)C4—H4A0.9300
Fe—C4A2.099 (4)C4A—C5A1.469 (7)
Fe—C32.090 (11)C5A—C51.369 (8)
Fe—C42.132 (6)C5A—C8A1.372 (8)
Fe—C4A'2.158 (10)C5—C61.391 (9)
Fe—C4'2.154 (17)C5—H5A0.9300
Fe—C3'2.04 (6)C6—C71.397 (9)
C1A'—C4A'1.402 (10)C6—H6A0.9300
C1A'—C1'1.433 (19)C7—C81.382 (10)
C1A'—C9'1.523 (10)C7—H7A0.9300
C1'—C2'1.38 (2)C8—C8A1.371 (6)
C1'—H1'A0.9300C8—H8A0.9300
C2'—C3'1.41 (2)C8A—C91.532 (6)
C2'—H2'A0.9300C9—H9A0.9700
C3'—C4'1.41 (2)C9—H9B0.9700
C3'—H3'A0.9300C10—C141.407 (3)
C4'—C4A'1.411 (10)C10—C111.413 (4)
C4'—H4'A0.9300C10—H10A0.9300
C4A'—C5A'1.474 (12)C11—C121.403 (4)
C5A'—C5'1.350 (12)C11—H11A0.9300
C5A'—C8A'1.370 (15)C12—C131.407 (3)
C5'—C6'1.413 (17)C12—H12A0.9300
C5'—H5'A0.9300C13—C141.402 (3)
C6'—C7'1.412 (16)C13—H13A0.9300
C6'—H6'A0.9300C14—H14A0.9300
C7'—C8'1.403 (15)P—F11.5797 (16)
C7'—H7'A0.9300P—F31.5813 (16)
C8'—C8A'1.412 (14)P—F61.5871 (15)
C8'—H8'A0.9300P—F51.5868 (18)
C8A'—C9'1.515 (14)P—F21.5887 (16)
C9'—H9'A0.9700P—F41.5947 (15)
C9'—H9'B0.9700
C2'—Fe—C1'40.0 (8)C1'—C2'—H2'A119.6
C2'—Fe—C1A'72.8 (8)C3'—C2'—H2'A119.6
C1'—Fe—C1A'41.5 (6)Fe—C2'—H2'A133.0
C2'—Fe—C143.6 (10)C4'—C3'—C2'122.3 (19)
C1'—Fe—C172.1 (8)C4'—C3'—Fe75 (2)
C1A'—Fe—C179.0 (6)C2'—C3'—Fe69 (3)
C2'—Fe—C12107.1 (8)C4'—C3'—H3'A118.8
C1'—Fe—C12134.2 (7)C2'—C3'—H3'A118.8
C1A'—Fe—C12172.4 (3)Fe—C3'—H3'A130.1
C1—Fe—C12106.3 (5)C3'—C4'—C4A'117.8 (15)
C2'—Fe—C14174.3 (8)C3'—C4'—Fe66 (3)
C1'—Fe—C14142.8 (5)C4A'—C4'—Fe71.0 (8)
C1A'—Fe—C14112.3 (3)C3'—C4'—H4'A121.1
C1—Fe—C14138.4 (4)C4A'—C4'—H4'A121.1
C12—Fe—C1467.46 (9)Fe—C4'—H4'A135.1
C2'—Fe—C13136.6 (8)C1A'—C4A'—C4'118.8 (10)
C1'—Fe—C13174.5 (7)C1A'—C4A'—C5A'106.3 (8)
C1A'—Fe—C13144.0 (3)C4'—C4A'—C5A'134.1 (11)
C1—Fe—C13107.9 (5)C1A'—C4A'—Fe64.9 (6)
C12—Fe—C1340.27 (9)C4'—C4A'—Fe70.8 (9)
C14—Fe—C1340.04 (9)C5A'—C4A'—Fe126.8 (12)
C2'—Fe—C10137.0 (8)C5'—C5A'—C8A'122.1 (11)
C1'—Fe—C10112.2 (7)C5'—C5A'—C4A'128.2 (12)
C1A'—Fe—C10107.2 (3)C8A'—C5A'—C4A'109.5 (9)
C1—Fe—C10173.7 (5)C5A'—C5'—C6'117.4 (12)
C12—Fe—C1067.41 (10)C5A'—C5'—H5'A121.3
C14—Fe—C1040.13 (9)C6'—C5'—H5'A121.3
C13—Fe—C1067.39 (10)C7'—C6'—C5'119.9 (14)
C2'—Fe—C11107.2 (9)C7'—C6'—H6'A120.1
C1'—Fe—C11108.3 (8)C5'—C6'—H6'A120.1
C1A'—Fe—C11132.3 (3)C8'—C7'—C6'122.9 (18)
C1—Fe—C11134.7 (4)C8'—C7'—H7'A118.5
C12—Fe—C1140.11 (10)C6'—C7'—H7'A118.5
C14—Fe—C1167.60 (10)C7'—C8'—C8A'113.2 (14)
C13—Fe—C1167.59 (10)C7'—C8'—H8'A123.4
C10—Fe—C1140.26 (10)C8A'—C8'—H8'A123.4
C2'—Fe—C1A73.3 (9)C5A'—C8A'—C8'124.2 (12)
C1'—Fe—C1A77.6 (8)C5A'—C8A'—C9'112.0 (9)
C1A'—Fe—C1A56.0 (3)C8'—C8A'—C9'123.6 (12)
C1—Fe—C1A40.5 (4)C8A'—C9'—C1A'99.9 (8)
C12—Fe—C1A131.6 (2)C8A'—C9'—H9'A111.8
C14—Fe—C1A111.44 (17)C1A'—C9'—H9'A111.8
C13—Fe—C1A106.07 (17)C8A'—C9'—H9'B111.8
C10—Fe—C1A143.7 (2)C1A'—C9'—H9'B111.8
C11—Fe—C1A171.6 (2)H9'A—C9'—H9'B109.5
C2'—Fe—C25.8 (11)C4A—C1A—C1120.8 (6)
C1'—Fe—C245.4 (7)C4A—C1A—C9110.0 (5)
C1A'—Fe—C276.1 (5)C1—C1A—C9129.1 (7)
C1—Fe—C238.8 (4)C4A—C1A—Fe71.1 (3)
C12—Fe—C2104.5 (4)C1—C1A—Fe70.1 (10)
C14—Fe—C2171.3 (4)C9—C1A—Fe128.4 (4)
C13—Fe—C2131.5 (4)C2—C1—C1A117.2 (8)
C10—Fe—C2141.2 (4)C2—C1—Fe70.2 (11)
C11—Fe—C2108.7 (4)C1A—C1—Fe69.4 (9)
C1A—Fe—C271.0 (4)C2—C1—H1A121.4
C2'—Fe—C4A82.5 (8)C1A—C1—H1A121.4
C1'—Fe—C4A60.1 (7)Fe—C1—H1A131.5
C1A'—Fe—C4A21.4 (2)C1—C2—C3121.0 (7)
C1—Fe—C4A72.5 (5)C1—C2—Fe71.0 (11)
C12—Fe—C4A165.14 (18)C3—C2—Fe70.7 (7)
C14—Fe—C4A103.20 (13)C1—C2—H2A119.5
C13—Fe—C4A125.30 (17)C3—C2—H2A119.5
C10—Fe—C4A113.52 (15)Fe—C2—H2A131.8
C11—Fe—C4A148.79 (19)C4—C3—C2122.1 (9)
C1A—Fe—C4A39.28 (18)C4—C3—Fe72.1 (5)
C2—Fe—C4A84.0 (4)C2—C3—Fe69.8 (7)
C2'—Fe—C333.8 (9)C4—C3—H3A118.9
C1'—Fe—C39.8 (9)C2—C3—H3A118.9
C1A'—Fe—C351.3 (4)Fe—C3—H3A132.4
C1—Fe—C371.2 (5)C4A—C4—C3117.3 (7)
C12—Fe—C3124.7 (3)C4A—C4—Fe69.6 (3)
C14—Fe—C3147.7 (3)C3—C4—Fe68.9 (5)
C13—Fe—C3164.7 (3)C4A—C4—H4A121.4
C10—Fe—C3112.2 (3)C3—C4—H4A121.4
C11—Fe—C3101.8 (4)Fe—C4—H4A132.9
C1A—Fe—C383.3 (4)C4—C4A—C1A121.6 (5)
C2—Fe—C339.5 (4)C4—C4A—C5A128.8 (6)
C4A—Fe—C369.5 (4)C1A—C4A—C5A109.4 (6)
C2'—Fe—C467.1 (8)C4—C4A—Fe72.2 (3)
C1'—Fe—C429.5 (5)C1A—C4A—Fe69.6 (3)
C1A'—Fe—C416.9 (3)C5A—C4A—Fe126.6 (5)
C1—Fe—C485.7 (5)C5—C5A—C8A121.9 (6)
C12—Fe—C4155.94 (18)C5—C5A—C4A130.9 (7)
C14—Fe—C4117.0 (2)C8A—C5A—C4A107.3 (6)
C13—Fe—C4155.4 (2)C5A—C5—C6118.3 (6)
C10—Fe—C4100.17 (17)C5A—C5—H5A120.9
C11—Fe—C4117.36 (17)C6—C5—H5A120.9
C1A—Fe—C470.7 (2)C7—C6—C5119.3 (7)
C2—Fe—C471.7 (4)C7—C6—H6A120.4
C4A—Fe—C438.29 (16)C5—C6—H6A120.4
C3—Fe—C439.0 (3)C8—C7—C6121.7 (8)
C2'—Fe—C4A'85.0 (9)C8—C7—H7A119.1
C1'—Fe—C4A'73.2 (7)C6—C7—H7A119.1
C1A'—Fe—C4A'39.1 (3)C8A—C8—C7117.6 (7)
C1—Fe—C4A'62.2 (5)C8A—C8—H8A121.2
C12—Fe—C4A'148.3 (3)C7—C8—H8A121.2
C14—Fe—C4A'100.6 (3)C5A—C8A—C8121.2 (7)
C13—Fe—C4A'111.8 (3)C5A—C8A—C9111.4 (5)
C10—Fe—C4A'122.9 (3)C8—C8A—C9127.5 (8)
C11—Fe—C4A'163.0 (3)C1A—C9—C8A101.9 (5)
C1A—Fe—C4A'23.5 (2)C1A—C9—H9A111.4
C2—Fe—C4A'84.7 (5)C8A—C9—H9A111.4
C4A—Fe—C4A'18.4 (2)C1A—C9—H9B111.4
C3—Fe—C4A'81.6 (4)C8A—C9—H9B111.4
C4—Fe—C4A'55.8 (3)H9A—C9—H9B109.3
C2'—Fe—C4'72.6 (9)C14—C10—C11108.0 (2)
C1'—Fe—C4'86.9 (8)C14—C10—Fe69.70 (13)
C1A'—Fe—C4'70.9 (4)C11—C10—Fe69.87 (14)
C1—Fe—C4'32.3 (6)C14—C10—H10A126.0
C12—Fe—C4'116.5 (3)C11—C10—H10A126.0
C14—Fe—C4'111.1 (5)Fe—C10—H10A126.0
C13—Fe—C4'95.9 (4)C12—C11—C10107.5 (2)
C10—Fe—C4'149.7 (5)C12—C11—Fe69.41 (14)
C11—Fe—C4'156.3 (3)C10—C11—Fe69.87 (14)
C1A—Fe—C4'15.4 (3)C12—C11—H11A126.3
C2—Fe—C4'68.8 (6)C10—C11—H11A126.3
C4A—Fe—C4'54.7 (3)Fe—C11—H11A126.0
C3—Fe—C4'90.6 (5)C11—C12—C13108.6 (2)
C4—Fe—C4'84.9 (3)C11—C12—Fe70.48 (14)
C4A'—Fe—C4'38.2 (3)C13—C12—Fe70.26 (13)
C2'—Fe—C3'40.8 (11)C11—C12—H12A125.7
C1'—Fe—C3'73.5 (15)C13—C12—H12A125.7
C1A'—Fe—C3'85.3 (16)Fe—C12—H12A125.1
C1—Fe—C3'7.9 (15)C14—C13—C12107.7 (2)
C12—Fe—C3'99.6 (16)C14—C13—Fe69.88 (13)
C14—Fe—C3'140.1 (12)C12—C13—Fe69.47 (13)
C13—Fe—C3'105.7 (15)C14—C13—H13A126.1
C10—Fe—C3'166.4 (14)C12—C13—H13A126.1
C11—Fe—C3'126.8 (12)Fe—C13—H13A126.1
C1A—Fe—C3'48.3 (10)C13—C14—C10108.2 (2)
C2—Fe—C3'35.4 (11)C13—C14—Fe70.08 (12)
C4A—Fe—C3'80.1 (14)C10—C14—Fe70.17 (12)
C3—Fe—C3'71.2 (14)C13—C14—H14A125.9
C4—Fe—C3'90.4 (16)C10—C14—H14A125.9
C4A'—Fe—C3'70.2 (12)Fe—C14—H14A125.5
C4'—Fe—C3'39.1 (7)F1—P—F390.12 (10)
C4A'—C1A'—C1'123.6 (10)F1—P—F690.69 (9)
C4A'—C1A'—C9'112.3 (8)F3—P—F689.50 (10)
C1'—C1A'—C9'124.1 (11)F1—P—F590.35 (11)
C4A'—C1A'—Fe76.0 (6)F3—P—F5179.29 (11)
C1'—C1A'—Fe69.8 (13)F6—P—F591.03 (10)
C9'—C1A'—Fe127.1 (7)F1—P—F2179.89 (14)
C2'—C1'—C1A'116.3 (14)F3—P—F289.78 (11)
C2'—C1'—Fe69.7 (18)F6—P—F289.34 (9)
C1A'—C1'—Fe68.7 (11)F5—P—F289.75 (12)
C2'—C1'—H1'A121.8F1—P—F489.49 (9)
C1A'—C1'—H1'A121.8F3—P—F490.21 (9)
Fe—C1'—H1'A132.3F6—P—F4179.66 (11)
C1'—C2'—C3'120.8 (13)F5—P—F489.26 (9)
C1'—C2'—Fe70.3 (18)F2—P—F490.48 (9)
C3'—C2'—Fe70 (3)
 

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