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In the title mol­ecule, [Fe2(C3H5)(C5H5)(C10H15)(CO)4]PF6, an allyl chain bridges two Fe metal centres, forming a chiral positively charged mol­ecular ion, with hexa­fluoro­phosphate as the counterion. In the crystal structure, both enanti­omers are present.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806003503/lh6583sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806003503/lh6583Isup2.hkl
Contains datablock I

CCDC reference: 601208

Key indicators

  • Single-crystal X-ray study
  • T = 200 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.060
  • wR factor = 0.134
  • Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found



Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.350 From the CIF: _refine_ls_abs_structure_Flack_su 0.020 PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 0.35 PLAT230_ALERT_2_C Hirshfeld Test Diff for C3 - C4 .. 5.05 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for P1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.05 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C11 - C12 ... 1.39 Ang. PLAT431_ALERT_2_C Short Inter HL..A Contact F5 .. O4 .. 2.95 Ang.
Alert level G REFLT03_ALERT_4_G 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. From the CIF: _diffrn_reflns_theta_max 31.87 From the CIF: _reflns_number_total 6555 Count of symmetry unique reflns 4223 Completeness (_total/calc) 155.22% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 2332 Fraction of Friedel pairs measured 0.552 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 1 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 1 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2003); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2003); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997) and Mercury (Bruno et al., 2002); software used to prepare material for publication: WinGX (Farrugia, 1999) and PLATON (Spek, 2003).

[µ-1κC1:2(C2,C3-η)-Allyl]tetracarbonyl-1κ2C,2κ2C-(1η5– cyclopentadienyl)(2η5-pentamethylcyclopentadienyl)diiron hexafluorophosphate top
Crystal data top
[Fe2(C3H5)(C5H5)(C10H15)(CO)4]PF6F(000) = 1240.0
Mr = 610.09Dx = 1.647 Mg m3
Monoclinic, CcMo Kα radiation, λ = 0.71073 Å
Hall symbol: C -2ycCell parameters from 343 reflections
a = 21.198 (7) Åθ = 2–32°
b = 8.360 (3) ŵ = 1.32 mm1
c = 16.611 (7) ÅT = 200 K
β = 123.43 (3)°Thin plate, yellow
V = 2456.7 (18) Å30.20 × 0.20 × 0.05 mm
Z = 4
Data collection top
Oxford Excalibur2
diffractometer
6555 independent reflections
Radiation source: fine-focus sealed tube3684 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.062
ω/2θ scansθmax = 31.9°, θmin = 4.5°
Absorption correction: multi-scan
(SORTAV; Blessing, 1995)
h = 2731
Tmin = 0.778, Tmax = 0.937k = 1211
11364 measured reflectionsl = 2323
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)] = 0.061H-atom parameters constrained
wR(F2) = 0.134 w = 1/[σ2(Fo2) + (0.0563P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.86(Δ/σ)max = 0.001
6555 reflectionsΔρmax = 0.67 e Å3
317 parametersΔρmin = 0.41 e Å3
2 restraintsAbsolute structure: Flack (1983), with 2621 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.35 (2)
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
Fe10.11455 (4)0.91916 (8)0.21051 (4)0.02030 (17)
Fe20.38544 (4)0.94788 (9)0.28893 (5)0.0274 (2)
C130.2665 (3)0.9391 (6)0.2078 (4)0.0238 (12)
H13A0.24561.03550.16940.029*
H13B0.24860.84790.16450.029*
C120.2424 (3)0.9252 (6)0.2747 (4)0.0222 (12)
H120.26930.99980.32900.027*
C140.0794 (3)0.7206 (6)0.1923 (5)0.0297 (13)
C30.0552 (3)1.1392 (6)0.1749 (4)0.0269 (11)
C50.1285 (3)1.0475 (6)0.3327 (4)0.0254 (12)
C10.0591 (3)0.9599 (6)0.2833 (4)0.0250 (11)
C150.1032 (3)0.9261 (7)0.0960 (4)0.0278 (12)
C20.0139 (3)1.0145 (7)0.1853 (4)0.0266 (12)
C40.1260 (3)1.1597 (6)0.2626 (4)0.0247 (11)
P10.21892 (9)0.46252 (18)0.05774 (12)0.0339 (4)
O10.0545 (3)0.5965 (5)0.1786 (4)0.0495 (12)
C80.0268 (4)1.2374 (8)0.0851 (5)0.0468 (17)
H8A0.00601.32020.08160.070*
H8B0.00071.16970.02930.070*
H8C0.06891.28470.08710.070*
O40.3779 (3)1.2680 (5)0.3507 (3)0.0467 (11)
C90.1824 (3)1.2885 (7)0.2879 (4)0.0353 (14)
H9A0.19141.29860.23740.053*
H9B0.22891.26200.34730.053*
H9C0.16341.38780.29520.053*
C220.3806 (3)1.1410 (7)0.3252 (4)0.0315 (13)
C70.0644 (3)0.9638 (8)0.1086 (5)0.0414 (16)
H7A0.07500.86180.12520.062*
H7B0.06870.95540.04810.062*
H7C0.09991.04150.10320.062*
O30.3763 (3)1.0376 (6)0.1137 (4)0.0574 (13)
C100.1905 (3)1.0337 (7)0.4356 (4)0.0331 (13)
H10A0.18340.93880.46240.050*
H10B0.19031.12570.47010.050*
H10C0.23801.02740.44130.050*
C60.0337 (3)0.8426 (7)0.3283 (4)0.0343 (14)
H6A0.00750.89850.35190.052*
H6B0.07700.78910.38090.052*
H6C0.00050.76540.28090.052*
C170.4862 (4)0.8922 (8)0.4204 (5)0.0414 (16)
H170.51940.96790.46450.050*
C210.3788 (3)1.0066 (8)0.1844 (5)0.0346 (14)
C190.3890 (3)0.7169 (7)0.3415 (5)0.0458 (17)
H190.34680.65530.32400.055*
C180.4242 (4)0.8231 (8)0.4177 (5)0.0404 (15)
H180.40960.84540.46000.048*
C160.4884 (3)0.8261 (8)0.3448 (5)0.0459 (17)
H160.52360.84900.32960.055*
C200.4271 (4)0.7176 (8)0.2956 (6)0.0451 (18)
H200.41460.65730.24160.054*
O20.0894 (2)0.9333 (5)0.0195 (3)0.0420 (11)
F10.2658 (3)0.6116 (5)0.0586 (4)0.0659 (13)
F20.1730 (3)0.3126 (5)0.0578 (4)0.0769 (15)
F30.1536 (4)0.4927 (8)0.0506 (4)0.118 (2)
F40.1769 (4)0.5707 (6)0.0902 (6)0.129 (3)
F50.2826 (4)0.4325 (8)0.1637 (4)0.143 (3)
F60.2586 (3)0.3567 (7)0.0218 (6)0.111 (2)
C110.2197 (3)0.7875 (6)0.2989 (4)0.0283 (12)
H11A0.23780.77660.36650.034*
H11B0.22360.68880.27120.034*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.0188 (4)0.0211 (3)0.0213 (4)0.0004 (3)0.0113 (3)0.0013 (3)
Fe20.0200 (4)0.0327 (4)0.0278 (4)0.0011 (3)0.0122 (4)0.0027 (4)
C130.018 (3)0.029 (3)0.017 (3)0.004 (2)0.005 (2)0.000 (2)
C120.016 (3)0.029 (3)0.016 (3)0.002 (2)0.005 (2)0.002 (2)
C140.031 (3)0.022 (3)0.041 (4)0.002 (2)0.022 (3)0.003 (3)
C30.024 (3)0.025 (2)0.024 (3)0.007 (2)0.009 (2)0.004 (2)
C50.032 (3)0.023 (3)0.023 (3)0.001 (2)0.017 (3)0.000 (2)
C10.024 (3)0.027 (3)0.032 (3)0.002 (2)0.021 (2)0.006 (2)
C150.011 (2)0.038 (3)0.026 (3)0.000 (2)0.005 (2)0.001 (3)
C20.019 (3)0.034 (3)0.025 (3)0.000 (2)0.011 (2)0.006 (2)
C40.033 (3)0.017 (2)0.037 (3)0.006 (2)0.027 (3)0.005 (2)
P10.0312 (8)0.0312 (8)0.0349 (8)0.0028 (6)0.0154 (7)0.0028 (7)
O10.048 (3)0.028 (2)0.075 (3)0.005 (2)0.035 (3)0.010 (3)
C80.054 (4)0.038 (4)0.036 (4)0.017 (3)0.017 (3)0.015 (3)
O40.050 (3)0.033 (2)0.045 (3)0.000 (2)0.019 (2)0.008 (2)
C90.043 (4)0.026 (3)0.038 (3)0.006 (3)0.023 (3)0.002 (3)
C220.022 (3)0.038 (3)0.029 (3)0.002 (2)0.011 (3)0.000 (3)
C70.019 (3)0.053 (4)0.047 (4)0.003 (3)0.014 (3)0.018 (3)
O30.042 (3)0.090 (4)0.050 (3)0.005 (3)0.032 (3)0.007 (3)
C100.032 (3)0.041 (3)0.026 (3)0.000 (3)0.015 (3)0.000 (2)
C60.041 (4)0.040 (3)0.037 (3)0.007 (3)0.031 (3)0.000 (3)
C170.028 (3)0.047 (4)0.034 (3)0.010 (3)0.007 (3)0.002 (3)
C210.015 (3)0.058 (4)0.029 (3)0.005 (3)0.011 (3)0.001 (3)
C190.025 (3)0.035 (3)0.066 (5)0.011 (3)0.018 (3)0.011 (3)
C180.037 (4)0.046 (4)0.036 (4)0.013 (3)0.019 (3)0.010 (3)
C160.024 (3)0.051 (4)0.057 (4)0.009 (3)0.018 (3)0.003 (3)
C200.023 (3)0.047 (4)0.052 (4)0.007 (3)0.012 (3)0.010 (3)
O20.035 (2)0.062 (3)0.029 (2)0.003 (2)0.017 (2)0.000 (2)
F10.063 (3)0.040 (2)0.100 (4)0.012 (2)0.049 (3)0.002 (2)
F20.101 (4)0.066 (3)0.088 (4)0.049 (3)0.068 (3)0.029 (3)
F30.078 (4)0.163 (5)0.058 (3)0.025 (4)0.002 (3)0.041 (4)
F40.114 (5)0.097 (4)0.231 (8)0.035 (4)0.130 (6)0.088 (5)
F50.134 (6)0.157 (6)0.042 (3)0.062 (5)0.012 (4)0.034 (4)
F60.094 (4)0.078 (4)0.195 (7)0.027 (3)0.102 (5)0.071 (4)
C110.025 (3)0.036 (3)0.025 (3)0.013 (2)0.014 (2)0.008 (2)
Geometric parameters (Å, º) top
Fe1—C141.776 (5)P1—F61.549 (5)
Fe1—C151.781 (6)P1—F41.560 (5)
Fe1—C22.092 (5)P1—F31.573 (6)
Fe1—C32.121 (5)P1—F21.587 (4)
Fe1—C12.127 (5)P1—F11.589 (4)
Fe1—C42.149 (5)C8—H8A0.9600
Fe1—C112.174 (5)C8—H8B0.9600
Fe1—C52.168 (6)C8—H8C0.9600
Fe1—C122.302 (6)O4—C221.156 (7)
Fe2—C211.733 (7)C9—H9A0.9600
Fe2—C221.746 (6)C9—H9B0.9600
Fe2—C182.098 (6)C9—H9C0.9600
Fe2—C202.095 (6)C7—H7A0.9600
Fe2—C172.099 (7)C7—H7B0.9600
Fe2—C192.103 (6)C7—H7C0.9600
Fe2—C132.107 (6)O3—C211.176 (7)
Fe2—C162.105 (6)C10—H10A0.9600
C13—C121.461 (8)C10—H10B0.9600
C13—H13A0.9700C10—H10C0.9600
C13—H13B0.9700C6—H6A0.9600
C12—C111.390 (7)C6—H6B0.9600
C12—H120.9800C6—H6C0.9600
C14—O11.129 (6)C17—C161.397 (9)
C3—C41.413 (8)C17—C181.413 (9)
C3—C21.431 (8)C17—H170.9300
C3—C81.507 (8)C19—C201.382 (10)
C5—C11.429 (8)C19—C181.381 (9)
C5—C41.473 (7)C19—H190.9300
C5—C101.479 (8)C18—H180.9300
C1—C21.435 (8)C16—C201.419 (9)
C1—C61.500 (7)C16—H160.9300
C15—O21.139 (6)C20—H200.9300
C2—C71.493 (8)C11—H11A0.9700
C4—C91.488 (7)C11—H11B0.9700
P1—F51.538 (5)
C14—Fe1—C1593.0 (3)C1—C2—C3107.4 (5)
C14—Fe1—C292.1 (2)C1—C2—C7127.7 (5)
C15—Fe1—C2104.5 (2)C3—C2—C7124.8 (5)
C14—Fe1—C3129.4 (3)C1—C2—Fe171.5 (3)
C15—Fe1—C387.9 (2)C3—C2—Fe171.2 (3)
C2—Fe1—C339.7 (2)C7—C2—Fe1126.5 (4)
C14—Fe1—C186.3 (2)C3—C4—C5107.1 (5)
C15—Fe1—C1144.0 (2)C3—C4—C9127.6 (5)
C2—Fe1—C139.8 (2)C5—C4—C9124.4 (5)
C3—Fe1—C165.9 (2)C3—C4—Fe169.6 (3)
C14—Fe1—C4152.4 (2)C5—C4—Fe170.7 (3)
C15—Fe1—C4108.6 (2)C9—C4—Fe1133.2 (4)
C2—Fe1—C466.5 (2)F5—P1—F691.6 (5)
C3—Fe1—C438.6 (2)F5—P1—F490.4 (5)
C1—Fe1—C466.19 (19)F6—P1—F4178.0 (5)
C14—Fe1—C1179.6 (3)F5—P1—F3179.8 (4)
C15—Fe1—C11102.9 (2)F6—P1—F388.5 (4)
C2—Fe1—C11151.7 (2)F4—P1—F389.5 (4)
C3—Fe1—C11149.0 (2)F5—P1—F291.3 (3)
C1—Fe1—C11112.3 (2)F6—P1—F290.7 (3)
C4—Fe1—C11110.8 (2)F4—P1—F289.4 (3)
C14—Fe1—C5116.7 (3)F3—P1—F288.5 (3)
C15—Fe1—C5148.4 (2)F5—P1—F188.1 (3)
C2—Fe1—C566.2 (2)F6—P1—F189.0 (3)
C3—Fe1—C565.5 (2)F4—P1—F190.9 (3)
C1—Fe1—C538.8 (2)F3—P1—F192.1 (3)
C4—Fe1—C539.90 (19)F2—P1—F1179.3 (3)
C11—Fe1—C593.3 (2)C3—C8—H8A109.5
C14—Fe1—C12112.1 (2)C3—C8—H8B109.5
C15—Fe1—C1285.8 (2)H8A—C8—H8B109.5
C2—Fe1—C12153.5 (2)C3—C8—H8C109.5
C3—Fe1—C12118.4 (2)H8A—C8—H8C109.5
C1—Fe1—C12127.7 (2)H8B—C8—H8C109.5
C4—Fe1—C1287.15 (19)C4—C9—H9A109.5
C11—Fe1—C1236.03 (19)C4—C9—H9B109.5
C5—Fe1—C1292.1 (2)H9A—C9—H9B109.5
C21—Fe2—C2295.5 (3)C4—C9—H9C109.5
C21—Fe2—C18158.8 (3)H9A—C9—H9C109.5
C22—Fe2—C1899.9 (3)H9B—C9—H9C109.5
C21—Fe2—C2096.5 (3)O4—C22—Fe2178.9 (5)
C22—Fe2—C20159.2 (3)C2—C7—H7A109.5
C18—Fe2—C2064.7 (3)C2—C7—H7B109.5
C21—Fe2—C17125.5 (3)H7A—C7—H7B109.5
C22—Fe2—C1793.8 (3)C2—C7—H7C109.5
C18—Fe2—C1739.3 (3)H7A—C7—H7C109.5
C20—Fe2—C1765.4 (3)H7B—C7—H7C109.5
C21—Fe2—C19129.8 (3)C5—C10—H10A109.5
C22—Fe2—C19134.5 (3)C5—C10—H10B109.5
C18—Fe2—C1938.4 (3)H10A—C10—H10B109.5
C20—Fe2—C1938.4 (3)C5—C10—H10C109.5
C17—Fe2—C1965.2 (3)H10A—C10—H10C109.5
C21—Fe2—C1387.7 (2)H10B—C10—H10C109.5
C22—Fe2—C1388.6 (2)C1—C6—H6A109.5
C18—Fe2—C13107.1 (2)C1—C6—H6B109.5
C20—Fe2—C13108.8 (2)H6A—C6—H6B109.5
C17—Fe2—C13146.2 (3)C1—C6—H6C109.5
C19—Fe2—C1389.4 (2)H6A—C6—H6C109.5
C21—Fe2—C1694.1 (3)H6B—C6—H6C109.5
C22—Fe2—C16122.6 (3)C16—C17—C18107.6 (6)
C18—Fe2—C1665.3 (3)C16—C17—Fe270.8 (4)
C20—Fe2—C1639.5 (2)C18—C17—Fe270.3 (4)
C17—Fe2—C1638.8 (3)C16—C17—H17126.2
C19—Fe2—C1665.3 (3)C18—C17—H17126.2
C13—Fe2—C16148.3 (2)Fe2—C17—H17124.3
C12—C13—Fe2108.2 (3)O3—C21—Fe2175.8 (7)
C12—C13—H13A110.1C20—C19—C18108.6 (6)
Fe2—C13—H13A110.1C20—C19—Fe270.5 (4)
C12—C13—H13B110.1C18—C19—Fe270.6 (4)
Fe2—C13—H13B110.1C20—C19—H19125.7
H13A—C13—H13B108.4C18—C19—H19125.7
C11—C12—C13127.4 (5)Fe2—C19—H19124.8
C11—C12—Fe167.0 (3)C19—C18—C17108.3 (6)
C13—C12—Fe1117.7 (3)C19—C18—Fe271.0 (4)
C11—C12—H12112.3C17—C18—Fe270.4 (4)
C13—C12—H12112.3C19—C18—H18125.8
Fe1—C12—H12112.3C17—C18—H18125.8
O1—C14—Fe1177.6 (6)Fe2—C18—H18124.4
C4—C3—C2109.6 (5)C17—C16—C20107.2 (6)
C4—C3—C8125.0 (5)C17—C16—Fe270.4 (3)
C2—C3—C8125.3 (5)C20—C16—Fe269.9 (4)
C4—C3—Fe171.8 (3)C17—C16—H16126.4
C2—C3—Fe169.0 (3)C20—C16—H16126.4
C8—C3—Fe1126.9 (4)Fe2—C16—H16125.0
C1—C5—C4107.1 (5)C19—C20—C16108.2 (7)
C1—C5—C10127.0 (5)C19—C20—Fe271.1 (4)
C4—C5—C10125.8 (5)C16—C20—Fe270.6 (4)
C1—C5—Fe169.0 (3)C19—C20—H20125.9
C4—C5—Fe169.4 (3)C16—C20—H20125.9
C10—C5—Fe1128.3 (4)Fe2—C20—H20124.0
C2—C1—C5108.7 (5)C12—C11—Fe177.0 (3)
C2—C1—C6125.1 (5)C12—C11—H11A115.7
C5—C1—C6125.9 (5)Fe1—C11—H11A115.7
C2—C1—Fe168.8 (3)C12—C11—H11B115.7
C5—C1—Fe172.1 (3)Fe1—C11—H11B115.7
C6—C1—Fe1129.8 (4)H11A—C11—H11B112.7
O2—C15—Fe1174.1 (5)
C21—Fe2—C13—C12167.6 (4)C15—Fe1—C2—C751.6 (6)
C22—Fe2—C13—C1272.0 (4)C3—Fe1—C2—C7119.9 (6)
C18—Fe2—C13—C1227.9 (4)C1—Fe1—C2—C7123.6 (7)
C20—Fe2—C13—C1296.3 (4)C4—Fe1—C2—C7155.9 (6)
C17—Fe2—C13—C1222.7 (6)C11—Fe1—C2—C7113.7 (6)
C19—Fe2—C13—C1262.5 (4)C5—Fe1—C2—C7160.4 (6)
C16—Fe2—C13—C1298.3 (6)C12—Fe1—C2—C7161.9 (5)
Fe2—C13—C12—C11100.5 (5)C2—C3—C4—C52.3 (6)
Fe2—C13—C12—Fe1178.4 (2)C8—C3—C4—C5176.1 (5)
C14—Fe1—C12—C1127.3 (4)Fe1—C3—C4—C561.2 (3)
C15—Fe1—C12—C11118.8 (4)C2—C3—C4—C9171.7 (5)
C2—Fe1—C12—C11126.8 (5)C8—C3—C4—C96.7 (9)
C3—Fe1—C12—C11155.9 (3)Fe1—C3—C4—C9129.5 (5)
C1—Fe1—C12—C1175.6 (4)C2—C3—C4—Fe158.8 (4)
C4—Fe1—C12—C11132.3 (4)C8—C3—C4—Fe1122.8 (6)
C5—Fe1—C12—C1192.7 (4)C1—C5—C4—C31.5 (6)
C14—Fe1—C12—C1394.2 (4)C10—C5—C4—C3176.6 (5)
C15—Fe1—C12—C132.7 (4)Fe1—C5—C4—C360.4 (4)
C2—Fe1—C12—C13111.7 (5)C1—C5—C4—C9171.3 (5)
C3—Fe1—C12—C1382.6 (4)C10—C5—C4—C96.8 (8)
C1—Fe1—C12—C13162.8 (3)Fe1—C5—C4—C9129.8 (5)
C4—Fe1—C12—C13106.2 (4)C1—C5—C4—Fe158.9 (4)
C11—Fe1—C12—C13121.5 (5)C10—C5—C4—Fe1123.0 (6)
C5—Fe1—C12—C13145.8 (4)C14—Fe1—C4—C378.4 (6)
C14—Fe1—C3—C4144.1 (4)C15—Fe1—C4—C361.2 (4)
C15—Fe1—C3—C4123.8 (3)C2—Fe1—C4—C337.0 (3)
C2—Fe1—C3—C4120.3 (5)C1—Fe1—C4—C380.6 (4)
C1—Fe1—C3—C481.5 (3)C11—Fe1—C4—C3173.5 (3)
C11—Fe1—C3—C411.9 (6)C5—Fe1—C4—C3117.5 (4)
C5—Fe1—C3—C438.7 (3)C12—Fe1—C4—C3145.7 (4)
C12—Fe1—C3—C439.8 (4)C14—Fe1—C4—C539.1 (7)
C14—Fe1—C3—C223.8 (5)C15—Fe1—C4—C5178.7 (3)
C15—Fe1—C3—C2115.9 (3)C2—Fe1—C4—C580.5 (3)
C1—Fe1—C3—C238.8 (3)C3—Fe1—C4—C5117.5 (4)
C4—Fe1—C3—C2120.3 (5)C1—Fe1—C4—C536.9 (3)
C11—Fe1—C3—C2132.3 (4)C11—Fe1—C4—C569.0 (3)
C5—Fe1—C3—C281.6 (4)C12—Fe1—C4—C596.8 (3)
C12—Fe1—C3—C2160.1 (3)C14—Fe1—C4—C9158.6 (6)
C14—Fe1—C3—C895.4 (6)C15—Fe1—C4—C961.8 (6)
C15—Fe1—C3—C83.3 (6)C2—Fe1—C4—C9159.9 (6)
C2—Fe1—C3—C8119.1 (7)C3—Fe1—C4—C9123.0 (7)
C1—Fe1—C3—C8158.0 (6)C1—Fe1—C4—C9156.5 (6)
C4—Fe1—C3—C8120.5 (7)C11—Fe1—C4—C950.5 (6)
C11—Fe1—C3—C8108.6 (6)C5—Fe1—C4—C9119.5 (7)
C5—Fe1—C3—C8159.2 (6)C12—Fe1—C4—C922.8 (6)
C12—Fe1—C3—C880.7 (6)C21—Fe2—C17—C1641.8 (5)
C14—Fe1—C5—C142.1 (4)C22—Fe2—C17—C16141.2 (4)
C15—Fe1—C5—C1116.4 (4)C18—Fe2—C17—C16117.7 (6)
C2—Fe1—C5—C137.6 (3)C20—Fe2—C17—C1638.2 (4)
C3—Fe1—C5—C181.3 (4)C19—Fe2—C17—C1680.7 (4)
C4—Fe1—C5—C1118.8 (4)C13—Fe2—C17—C16125.6 (5)
C11—Fe1—C5—C1122.2 (3)C21—Fe2—C17—C18159.5 (4)
C12—Fe1—C5—C1158.2 (3)C22—Fe2—C17—C18101.1 (4)
C14—Fe1—C5—C4160.9 (3)C20—Fe2—C17—C1879.5 (4)
C15—Fe1—C5—C42.4 (6)C19—Fe2—C17—C1837.0 (4)
C2—Fe1—C5—C481.2 (3)C13—Fe2—C17—C187.9 (6)
C3—Fe1—C5—C437.5 (3)C16—Fe2—C17—C18117.7 (6)
C1—Fe1—C5—C4118.8 (4)C21—Fe2—C19—C2035.5 (5)
C11—Fe1—C5—C4119.0 (3)C22—Fe2—C19—C20150.4 (4)
C12—Fe1—C5—C483.0 (3)C18—Fe2—C19—C20118.9 (6)
C14—Fe1—C5—C1079.1 (6)C17—Fe2—C19—C2081.1 (4)
C15—Fe1—C5—C10122.4 (5)C13—Fe2—C19—C20122.1 (4)
C2—Fe1—C5—C10158.9 (6)C16—Fe2—C19—C2038.1 (4)
C3—Fe1—C5—C10157.5 (6)C21—Fe2—C19—C18154.4 (4)
C1—Fe1—C5—C10121.2 (6)C22—Fe2—C19—C1831.5 (5)
C4—Fe1—C5—C10120.0 (6)C20—Fe2—C19—C18118.9 (6)
C11—Fe1—C5—C101.0 (5)C17—Fe2—C19—C1837.9 (4)
C12—Fe1—C5—C1037.0 (5)C13—Fe2—C19—C18119.0 (4)
C4—C5—C1—C20.1 (6)C16—Fe2—C19—C1880.8 (4)
C10—C5—C1—C2177.9 (5)C20—C19—C18—C170.3 (7)
Fe1—C5—C1—C259.3 (4)Fe2—C19—C18—C1760.8 (4)
C4—C5—C1—C6174.2 (5)C20—C19—C18—Fe260.5 (5)
C10—C5—C1—C63.9 (9)C16—C17—C18—C190.2 (7)
Fe1—C5—C1—C6126.7 (5)Fe2—C17—C18—C1961.2 (4)
C4—C5—C1—Fe159.1 (4)C16—C17—C18—Fe261.3 (4)
C10—C5—C1—Fe1122.8 (6)C21—Fe2—C18—C1966.3 (9)
C14—Fe1—C1—C297.7 (4)C22—Fe2—C18—C19157.8 (4)
C15—Fe1—C1—C27.9 (5)C20—Fe2—C18—C1937.0 (4)
C3—Fe1—C1—C238.8 (3)C17—Fe2—C18—C19118.4 (5)
C4—Fe1—C1—C281.2 (3)C13—Fe2—C18—C1966.2 (4)
C11—Fe1—C1—C2174.9 (3)C16—Fe2—C18—C1980.8 (4)
C5—Fe1—C1—C2119.2 (4)C21—Fe2—C18—C1752.1 (9)
C12—Fe1—C1—C2147.1 (3)C22—Fe2—C18—C1783.8 (4)
C14—Fe1—C1—C5143.1 (4)C20—Fe2—C18—C1781.4 (4)
C15—Fe1—C1—C5127.0 (4)C19—Fe2—C18—C17118.4 (5)
C2—Fe1—C1—C5119.2 (4)C13—Fe2—C18—C17175.4 (4)
C3—Fe1—C1—C580.4 (3)C16—Fe2—C18—C1737.7 (4)
C4—Fe1—C1—C537.9 (3)C18—C17—C16—C200.5 (7)
C11—Fe1—C1—C565.9 (3)Fe2—C17—C16—C2060.5 (5)
C12—Fe1—C1—C527.9 (4)C18—C17—C16—Fe261.0 (4)
C14—Fe1—C1—C620.9 (5)C21—Fe2—C16—C17147.0 (4)
C15—Fe1—C1—C6110.8 (6)C22—Fe2—C16—C1747.8 (5)
C2—Fe1—C1—C6118.6 (6)C18—Fe2—C16—C1738.2 (4)
C3—Fe1—C1—C6157.4 (6)C20—Fe2—C16—C17117.8 (6)
C4—Fe1—C1—C6160.1 (6)C19—Fe2—C16—C1780.6 (5)
C11—Fe1—C1—C656.3 (6)C13—Fe2—C16—C17120.7 (5)
C5—Fe1—C1—C6122.2 (7)C21—Fe2—C16—C2095.2 (5)
C12—Fe1—C1—C694.3 (5)C22—Fe2—C16—C20165.6 (5)
C5—C1—C2—C31.3 (6)C18—Fe2—C16—C2079.6 (5)
C6—C1—C2—C3172.9 (5)C17—Fe2—C16—C20117.8 (6)
Fe1—C1—C2—C362.6 (4)C19—Fe2—C16—C2037.2 (5)
C5—C1—C2—C7176.4 (5)C13—Fe2—C16—C202.9 (7)
C6—C1—C2—C72.2 (9)C18—C19—C20—C160.6 (7)
Fe1—C1—C2—C7122.3 (6)Fe2—C19—C20—C1661.2 (5)
C5—C1—C2—Fe161.4 (4)C18—C19—C20—Fe260.6 (4)
C6—C1—C2—Fe1124.5 (5)C17—C16—C20—C190.7 (8)
C4—C3—C2—C12.2 (6)Fe2—C16—C20—C1961.5 (5)
C8—C3—C2—C1176.1 (5)C17—C16—C20—Fe260.8 (4)
Fe1—C3—C2—C162.7 (4)C21—Fe2—C20—C19153.3 (4)
C4—C3—C2—C7177.5 (5)C22—Fe2—C20—C1982.0 (9)
C8—C3—C2—C70.8 (9)C18—Fe2—C20—C1936.9 (4)
Fe1—C3—C2—C7122.0 (5)C17—Fe2—C20—C1980.5 (5)
C4—C3—C2—Fe160.5 (4)C13—Fe2—C20—C1963.5 (5)
C8—C3—C2—Fe1121.1 (6)C16—Fe2—C20—C19118.1 (7)
C14—Fe1—C2—C181.6 (4)C21—Fe2—C20—C1688.6 (5)
C15—Fe1—C2—C1175.2 (3)C22—Fe2—C20—C1636.1 (11)
C3—Fe1—C2—C1116.5 (4)C18—Fe2—C20—C1681.1 (5)
C4—Fe1—C2—C180.5 (3)C17—Fe2—C20—C1637.6 (4)
C11—Fe1—C2—C19.9 (6)C19—Fe2—C20—C16118.1 (7)
C5—Fe1—C2—C136.8 (3)C13—Fe2—C20—C16178.4 (4)
C12—Fe1—C2—C174.5 (6)C13—C12—C11—Fe1108.1 (5)
C14—Fe1—C2—C3161.8 (4)C14—Fe1—C11—C12154.4 (4)
C15—Fe1—C2—C368.2 (4)C15—Fe1—C11—C1263.7 (4)
C1—Fe1—C2—C3116.5 (4)C2—Fe1—C11—C12130.9 (4)
C4—Fe1—C2—C336.0 (3)C3—Fe1—C11—C1244.3 (6)
C11—Fe1—C2—C3126.4 (5)C1—Fe1—C11—C12124.1 (3)
C5—Fe1—C2—C379.7 (3)C4—Fe1—C11—C1252.2 (4)
C12—Fe1—C2—C342.1 (6)C5—Fe1—C11—C1289.1 (3)
C14—Fe1—C2—C742.0 (6)
 

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