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At 150 K, the iron(II) sandwich complex cation of the salt [Fe(η5-C5H5)(η6-C6H4Cl2)]PF6 has almost parallel rings and the two C—Cl bonds of the 1,2-di­chloro­benzene ligand are bent slightly towards the iron centre.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803022116/lh6120sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803022116/lh6120Isup2.hkl
Contains datablock I

CCDC reference: 226650

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.041
  • wR factor = 0.108
  • Data-to-parameter ratio = 25.2

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... P1
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.99
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 1 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 1 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: X-AREA (Stoe & Cie, 2001); cell refinement: X-AREA; data reduction: X-RED (Stoe & Cie, 2001); program(s) used to solve structure: X-STEP32 (Stoe & Cie, 2001) and SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: WinGX (Farrugia, 1999) and SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX.

(η5-Cyclopentadienyl)(η6-1,2-dichlorobenzene)iron(II) hexafluorophosphate top
Crystal data top
[Fe(C5H5)(C6H4Cl2)]PF6F(000) = 816
Mr = 412.90Dx = 2.006 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 21436 reflections
a = 7.8972 (6) Åθ = 2.2–32.3°
b = 12.4909 (7) ŵ = 1.67 mm1
c = 13.8701 (11) ÅT = 150 K
β = 92.325 (6)°Fragment, orange
V = 1367.06 (17) Å30.45 × 0.30 × 0.25 mm
Z = 4
Data collection top
Stoe IPDS-II
diffractometer
4814 independent reflections
Radiation source: fine-focus sealed tube3448 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.031
Area detector scansθmax = 32.3°, θmin = 2.2°
Absorption correction: numerical
(X-SHAPE; Stoe & Cie, 2001)
h = 1111
Tmin = 0.594, Tmax = 0.834k = 1817
25607 measured reflectionsl = 2017
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)] = 0.041H-atom parameters constrained
wR(F2) = 0.109 w = 1/[σ2(Fo2) + (0.0678P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.001
4814 reflectionsΔρmax = 0.64 e Å3
191 parametersΔρmin = 0.63 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0084 (10)
Special details top

Experimental. The crystal was mounted under the perfluoro-polyether PFO-XR75 (Lancaster Synthesis). A total of 280 frames (1 minute exposure) were collected (phi/omega: 10/40–170, 55/0–150, delta-omega = 1 °.)

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.

Least-squares planes (* denotes atom defining plane)

Coordinates w.r.t. inertial axes (zi is delta)

Plane 1: atom xi yi zi w e.s.d.(zi) * C(1) 0.3526 1.2299 0.0063 2343.3 0.0020 * C(2) -1.0079 0.8543 0.0009 2284.6 0.0020 * C(3) -1.3719 - 0.4963 - 0.0087 1893.7 0.0023 * C(4) -0.3765 - 1.4914 0.0088 1626.3 0.0025 * C(5) 0.9797 - 1.1253 0.0014 1753.8 0.0024 * C(6) 1.3503 0.2297 - 0.0077 2198.4 0.0021 FE(1) -0.0158 - 0.1343 - 1.5304 153630.5 0.0003 C L(1) 0.8196 2.8828 - 0.0297 27376.0 0.0006 C L(2) -2.2414 2.0555 - 0.0572 27411.3 0.0006

Sigma delta squared = 0.000256 Chi squared = 50.8852 number of degrees of freedom = 3

Plane 2: atom xi yi zi w e.s.d.(zi) * C(7) 0.4455 1.1659 - 0.0014 1240.6 0.0025 * C(8) -0.9236 0.8547 0.0028 1238.1 0.0026 * C(9) -1.0628 - 0.5291 - 0.0027 1422.7 0.0025 * C(10) 0.2364 - 1.1022 0.0018 1537.8 0.0023 * C(11) 1.1646 - 0.0382 - 0.0005 1493.6 0.0024 FE(1) -0.0147 0.0851 1.6686 153630.5 0.0003

Sigma delta squared = 0.000021 Chi squared = 3.3391 number of degrees of freedom = 2

Angle between normals of planes 1 and 2 = 1.33 degrees.

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
Fe10.30102 (3)0.19866 (2)0.15988 (2)0.02386 (9)
P10.77487 (7)0.21448 (5)0.42519 (4)0.03070 (13)
Cl10.22606 (8)0.01125 (5)0.33800 (4)0.03998 (14)
Cl20.05020 (6)0.03471 (5)0.16694 (5)0.04116 (15)
F10.76658 (19)0.20815 (19)0.31044 (12)0.0606 (5)
F30.97011 (18)0.24597 (19)0.42357 (13)0.0584 (5)
F20.7806 (2)0.22210 (16)0.54030 (12)0.0533 (4)
F40.5782 (2)0.18406 (19)0.42625 (14)0.0636 (6)
C10.2829 (2)0.04838 (16)0.22451 (16)0.0279 (4)
F50.7218 (3)0.33731 (16)0.41944 (16)0.0661 (5)
C60.4541 (2)0.07295 (17)0.20860 (17)0.0309 (4)
H6A0.53690.06790.26000.037*
C40.3795 (3)0.1138 (2)0.04031 (18)0.0369 (5)
H4A0.41260.13470.02210.044*
C30.2083 (3)0.09179 (18)0.05660 (17)0.0333 (4)
H3A0.12510.09950.00570.040*
C20.1607 (2)0.05848 (16)0.14791 (17)0.0288 (4)
F60.8271 (3)0.09256 (16)0.4335 (2)0.0802 (7)
C50.5016 (3)0.10494 (19)0.11643 (19)0.0361 (5)
H5A0.61690.12060.10550.043*
C90.1886 (3)0.3415 (2)0.1178 (2)0.0421 (6)
H9A0.12500.35430.05930.051*
C100.3663 (3)0.35523 (18)0.1325 (2)0.0393 (5)
H10A0.44300.37830.08570.047*
C70.2582 (4)0.2980 (2)0.2732 (2)0.0444 (6)
H7A0.24910.27600.33840.053*
C80.1241 (3)0.3060 (2)0.2040 (2)0.0458 (6)
H8A0.00860.28990.21420.055*
C110.4078 (3)0.32817 (19)0.2294 (2)0.0405 (6)
H11A0.51790.33010.25970.049*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Fe10.02238 (12)0.01985 (14)0.02927 (15)0.00021 (9)0.00003 (9)0.00000 (11)
P10.0275 (2)0.0327 (3)0.0320 (3)0.00134 (19)0.00178 (19)0.0031 (2)
Cl10.0447 (3)0.0389 (3)0.0366 (3)0.0014 (2)0.0052 (2)0.0099 (2)
Cl20.0273 (2)0.0353 (3)0.0607 (4)0.00638 (19)0.0009 (2)0.0015 (3)
F10.0382 (7)0.1095 (17)0.0341 (8)0.0041 (8)0.0032 (6)0.0162 (9)
F30.0339 (7)0.0923 (15)0.0488 (9)0.0179 (8)0.0013 (6)0.0022 (9)
F20.0576 (9)0.0699 (12)0.0324 (8)0.0066 (8)0.0021 (7)0.0039 (8)
F40.0344 (7)0.0991 (16)0.0579 (11)0.0189 (8)0.0106 (7)0.0178 (10)
C10.0308 (8)0.0202 (8)0.0328 (10)0.0016 (7)0.0027 (7)0.0023 (8)
F50.0927 (14)0.0394 (9)0.0675 (13)0.0128 (9)0.0190 (11)0.0114 (9)
C60.0277 (8)0.0245 (9)0.0404 (12)0.0046 (7)0.0014 (8)0.0030 (9)
C40.0464 (11)0.0310 (11)0.0343 (11)0.0023 (9)0.0125 (9)0.0018 (9)
C30.0424 (10)0.0252 (10)0.0319 (11)0.0012 (8)0.0038 (9)0.0040 (8)
C20.0284 (8)0.0209 (8)0.0369 (11)0.0016 (7)0.0005 (7)0.0021 (8)
F60.0965 (15)0.0382 (10)0.1087 (19)0.0134 (10)0.0386 (14)0.0045 (11)
C50.0296 (9)0.0294 (10)0.0502 (14)0.0049 (8)0.0115 (9)0.0025 (10)
C90.0480 (12)0.0251 (10)0.0517 (15)0.0070 (9)0.0171 (11)0.0005 (10)
C100.0461 (12)0.0217 (10)0.0507 (15)0.0058 (8)0.0095 (10)0.0031 (10)
C70.0672 (16)0.0267 (11)0.0401 (13)0.0005 (10)0.0107 (11)0.0083 (10)
C80.0345 (10)0.0266 (11)0.077 (2)0.0050 (8)0.0118 (11)0.0102 (12)
C110.0408 (11)0.0252 (10)0.0540 (15)0.0027 (9)0.0155 (11)0.0068 (10)
Geometric parameters (Å, º) top
Fe1—C72.042 (3)C1—C61.413 (3)
Fe1—C112.047 (2)C6—C51.405 (3)
Fe1—C82.048 (2)C6—H6A0.9500
Fe1—C102.062 (2)C4—C51.405 (4)
Fe1—C92.066 (2)C4—C31.408 (3)
Fe1—C32.070 (2)C4—H4A0.9500
Fe1—C22.075 (2)C3—C21.399 (3)
Fe1—C62.078 (2)C3—H3A0.9500
Fe1—C52.078 (2)C5—H5A0.9500
Fe1—C42.084 (2)C9—C81.391 (4)
Fe1—C12.088 (2)C9—C101.420 (3)
P1—F61.581 (2)C9—H9A0.9500
P1—F51.592 (2)C10—C111.412 (4)
P1—F11.5922 (17)C10—H10A0.9500
P1—F31.5922 (15)C7—C111.402 (4)
P1—F21.5983 (17)C7—C81.404 (4)
P1—F41.5996 (16)C7—H7A0.9500
Cl1—C11.718 (2)C8—H8A0.9500
Cl2—C21.723 (2)C11—H11A0.9500
C1—C21.411 (3)
C7—Fe1—C1140.11 (12)F3—P1—F4179.37 (13)
C7—Fe1—C840.16 (12)F2—P1—F489.61 (10)
C11—Fe1—C867.36 (10)C2—C1—C6119.49 (19)
C7—Fe1—C1067.43 (11)C2—C1—Cl1121.20 (16)
C11—Fe1—C1040.20 (11)C6—C1—Cl1119.27 (16)
C8—Fe1—C1067.22 (10)C2—C1—Fe169.70 (12)
C7—Fe1—C967.05 (12)C6—C1—Fe169.80 (12)
C11—Fe1—C967.35 (10)Cl1—C1—Fe1131.39 (12)
C8—Fe1—C939.52 (12)C5—C6—C1119.77 (19)
C10—Fe1—C940.24 (10)C5—C6—Fe170.27 (12)
C7—Fe1—C3149.27 (11)C1—C6—Fe170.55 (11)
C11—Fe1—C3164.33 (11)C5—C6—H6A120.1
C8—Fe1—C3113.71 (10)C1—C6—H6A120.1
C10—Fe1—C3124.61 (10)Fe1—C6—H6A131.9
C9—Fe1—C3103.02 (9)C5—C4—C3119.9 (2)
C7—Fe1—C2118.01 (10)C5—C4—Fe170.08 (14)
C11—Fe1—C2155.89 (11)C3—C4—Fe169.68 (13)
C8—Fe1—C2101.99 (9)C5—C4—H4A120.1
C10—Fe1—C2157.26 (10)C3—C4—H4A120.1
C9—Fe1—C2118.95 (9)Fe1—C4—H4A133.4
C3—Fe1—C239.44 (9)C2—C3—C4119.9 (2)
C7—Fe1—C6108.74 (11)C2—C3—Fe170.47 (12)
C11—Fe1—C6102.76 (9)C4—C3—Fe170.70 (13)
C8—Fe1—C6142.44 (12)C2—C3—H3A120.1
C10—Fe1—C6129.07 (9)C4—C3—H3A120.1
C9—Fe1—C6169.10 (9)Fe1—C3—H3A131.6
C3—Fe1—C685.56 (9)C3—C2—C1120.52 (19)
C2—Fe1—C671.95 (8)C3—C2—Cl2119.12 (16)
C7—Fe1—C5135.86 (11)C1—C2—Cl2120.31 (17)
C11—Fe1—C5106.11 (10)C3—C2—Fe170.09 (12)
C8—Fe1—C5173.04 (10)C1—C2—Fe170.66 (11)
C10—Fe1—C5106.36 (10)Cl2—C2—Fe1130.51 (12)
C9—Fe1—C5136.73 (11)C4—C5—C6120.41 (19)
C3—Fe1—C571.86 (10)C4—C5—Fe170.47 (13)
C2—Fe1—C584.96 (9)C6—C5—Fe170.22 (12)
C6—Fe1—C539.51 (9)C4—C5—H5A119.8
C7—Fe1—C4170.38 (11)C6—C5—H5A119.8
C11—Fe1—C4130.28 (11)Fe1—C5—H5A132.6
C8—Fe1—C4143.07 (12)C8—C9—C10108.1 (2)
C10—Fe1—C4104.53 (10)C8—C9—Fe169.53 (14)
C9—Fe1—C4110.64 (11)C10—C9—Fe169.72 (13)
C3—Fe1—C439.62 (9)C8—C9—H9A126.0
C2—Fe1—C471.48 (9)C10—C9—H9A126.0
C6—Fe1—C471.73 (10)Fe1—C9—H9A126.4
C5—Fe1—C439.45 (10)C11—C10—C9107.3 (2)
C7—Fe1—C1101.50 (10)C11—C10—Fe169.35 (13)
C11—Fe1—C1122.84 (10)C9—C10—Fe170.05 (13)
C8—Fe1—C1113.63 (10)C11—C10—H10A126.4
C10—Fe1—C1162.58 (10)C9—C10—H10A126.4
C9—Fe1—C1149.48 (10)Fe1—C10—H10A125.8
C3—Fe1—C171.87 (9)C11—C7—C8108.0 (3)
C2—Fe1—C139.64 (8)C11—C7—Fe170.16 (15)
C6—Fe1—C139.65 (8)C8—C7—Fe170.15 (15)
C5—Fe1—C171.61 (9)C11—C7—H7A126.0
C4—Fe1—C184.97 (9)C8—C7—H7A126.0
F6—P1—F5178.70 (13)Fe1—C7—H7A125.3
F6—P1—F191.42 (13)C9—C8—C7108.5 (2)
F5—P1—F189.87 (12)C9—C8—Fe170.96 (14)
F6—P1—F389.38 (12)C7—C8—Fe169.69 (14)
F5—P1—F390.81 (12)C9—C8—H8A125.7
F1—P1—F389.93 (9)C7—C8—H8A125.7
F6—P1—F289.32 (13)Fe1—C8—H8A125.2
F5—P1—F289.39 (11)C7—C11—C10108.1 (2)
F1—P1—F2179.07 (11)C7—C11—Fe169.72 (14)
F3—P1—F290.64 (10)C10—C11—Fe170.45 (13)
F6—P1—F491.20 (13)C7—C11—H11A126.0
F5—P1—F488.62 (12)C10—C11—H11A126.0
F1—P1—F489.82 (9)Fe1—C11—H11A125.4
C7—Fe1—C1—C2120.38 (14)C5—Fe1—C2—Cl2179.16 (18)
C11—Fe1—C1—C2157.48 (14)C4—Fe1—C2—Cl2141.15 (19)
C8—Fe1—C1—C280.05 (15)C1—Fe1—C2—Cl2113.8 (2)
C10—Fe1—C1—C2169.1 (3)C3—C4—C5—C60.7 (3)
C9—Fe1—C1—C256.4 (2)Fe1—C4—C5—C651.4 (2)
C3—Fe1—C1—C228.53 (13)C3—C4—C5—Fe150.6 (2)
C6—Fe1—C1—C2134.05 (19)C1—C6—C5—C40.7 (3)
C5—Fe1—C1—C2104.86 (14)Fe1—C6—C5—C451.5 (2)
C4—Fe1—C1—C266.82 (13)C1—C6—C5—Fe152.22 (18)
C7—Fe1—C1—C6105.57 (15)C7—Fe1—C5—C4167.36 (16)
C11—Fe1—C1—C668.47 (16)C11—Fe1—C5—C4135.08 (15)
C8—Fe1—C1—C6145.90 (15)C10—Fe1—C5—C493.14 (16)
C10—Fe1—C1—C656.9 (3)C9—Fe1—C5—C461.23 (19)
C9—Fe1—C1—C6169.56 (18)C3—Fe1—C5—C428.65 (14)
C3—Fe1—C1—C6105.52 (15)C2—Fe1—C5—C466.75 (15)
C2—Fe1—C1—C6134.05 (19)C6—Fe1—C5—C4134.3 (2)
C5—Fe1—C1—C629.19 (14)C1—Fe1—C5—C4104.99 (15)
C4—Fe1—C1—C667.23 (14)C7—Fe1—C5—C658.36 (19)
C7—Fe1—C1—Cl16.17 (17)C11—Fe1—C5—C690.64 (15)
C11—Fe1—C1—Cl143.26 (19)C10—Fe1—C5—C6132.58 (14)
C8—Fe1—C1—Cl134.17 (19)C9—Fe1—C5—C6164.49 (14)
C10—Fe1—C1—Cl154.9 (4)C3—Fe1—C5—C6105.63 (15)
C9—Fe1—C1—Cl157.8 (3)C2—Fe1—C5—C667.53 (14)
C3—Fe1—C1—Cl1142.75 (17)C4—Fe1—C5—C6134.3 (2)
C2—Fe1—C1—Cl1114.2 (2)C1—Fe1—C5—C629.29 (13)
C6—Fe1—C1—Cl1111.7 (2)C7—Fe1—C9—C837.73 (16)
C5—Fe1—C1—Cl1140.92 (17)C11—Fe1—C9—C881.41 (18)
C4—Fe1—C1—Cl1178.96 (16)C10—Fe1—C9—C8119.4 (2)
C2—C1—C6—C51.3 (3)C3—Fe1—C9—C8111.61 (16)
Cl1—C1—C6—C5179.06 (17)C2—Fe1—C9—C872.68 (18)
Fe1—C1—C6—C552.09 (18)C5—Fe1—C9—C8171.13 (16)
C2—C1—C6—Fe150.75 (17)C4—Fe1—C9—C8152.34 (16)
Cl1—C1—C6—Fe1126.97 (15)C1—Fe1—C9—C835.3 (3)
C7—Fe1—C6—C5141.24 (15)C7—Fe1—C9—C1081.67 (17)
C11—Fe1—C6—C599.93 (16)C11—Fe1—C9—C1037.99 (16)
C8—Fe1—C6—C5169.27 (16)C8—Fe1—C9—C10119.4 (2)
C10—Fe1—C6—C565.52 (18)C3—Fe1—C9—C10129.00 (16)
C3—Fe1—C6—C566.62 (15)C2—Fe1—C9—C10167.93 (15)
C2—Fe1—C6—C5104.49 (15)C5—Fe1—C9—C1051.7 (2)
C4—Fe1—C6—C528.62 (14)C4—Fe1—C9—C1088.27 (17)
C1—Fe1—C6—C5133.3 (2)C1—Fe1—C9—C10154.69 (18)
C7—Fe1—C6—C185.44 (15)C8—C9—C10—C110.5 (3)
C11—Fe1—C6—C1126.75 (15)Fe1—C9—C10—C1159.61 (17)
C8—Fe1—C6—C157.4 (2)C8—C9—C10—Fe159.15 (17)
C10—Fe1—C6—C1161.16 (14)C7—Fe1—C10—C1137.69 (16)
C9—Fe1—C6—C1150.9 (5)C8—Fe1—C10—C1181.38 (18)
C3—Fe1—C6—C166.70 (14)C9—Fe1—C10—C11118.3 (2)
C2—Fe1—C6—C128.83 (13)C3—Fe1—C10—C11174.72 (15)
C5—Fe1—C6—C1133.3 (2)C2—Fe1—C10—C11146.6 (2)
C4—Fe1—C6—C1104.70 (14)C6—Fe1—C10—C1158.66 (19)
C11—Fe1—C4—C562.78 (18)C5—Fe1—C10—C1195.77 (16)
C8—Fe1—C4—C5169.50 (16)C4—Fe1—C10—C11136.73 (15)
C10—Fe1—C4—C598.22 (15)C1—Fe1—C10—C1115.2 (4)
C9—Fe1—C4—C5140.05 (14)C7—Fe1—C10—C980.65 (18)
C3—Fe1—C4—C5134.4 (2)C11—Fe1—C10—C9118.3 (2)
C2—Fe1—C4—C5105.15 (15)C8—Fe1—C10—C936.96 (17)
C6—Fe1—C4—C528.66 (13)C3—Fe1—C10—C966.94 (19)
C1—Fe1—C4—C566.95 (14)C2—Fe1—C10—C928.3 (3)
C11—Fe1—C4—C3162.83 (14)C6—Fe1—C10—C9177.01 (16)
C8—Fe1—C4—C356.1 (2)C5—Fe1—C10—C9145.88 (17)
C10—Fe1—C4—C3127.39 (15)C4—Fe1—C10—C9104.93 (17)
C9—Fe1—C4—C385.56 (16)C1—Fe1—C10—C9133.5 (3)
C2—Fe1—C4—C329.24 (13)C8—Fe1—C7—C11118.7 (2)
C6—Fe1—C4—C3105.73 (15)C10—Fe1—C7—C1137.77 (15)
C5—Fe1—C4—C3134.4 (2)C9—Fe1—C7—C1181.57 (17)
C1—Fe1—C4—C367.44 (14)C3—Fe1—C7—C11158.08 (18)
C5—C4—C3—C21.6 (3)C2—Fe1—C7—C11166.70 (14)
Fe1—C4—C3—C252.42 (19)C6—Fe1—C7—C1187.66 (16)
C5—C4—C3—Fe150.8 (2)C5—Fe1—C7—C1152.8 (2)
C7—Fe1—C3—C253.3 (2)C1—Fe1—C7—C11128.14 (15)
C11—Fe1—C3—C2170.4 (3)C11—Fe1—C7—C8118.7 (2)
C8—Fe1—C3—C279.81 (15)C10—Fe1—C7—C880.94 (17)
C10—Fe1—C3—C2157.65 (13)C9—Fe1—C7—C837.14 (16)
C9—Fe1—C3—C2120.06 (14)C3—Fe1—C7—C839.4 (3)
C6—Fe1—C3—C266.74 (13)C2—Fe1—C7—C874.59 (18)
C5—Fe1—C3—C2104.65 (14)C6—Fe1—C7—C8153.63 (16)
C4—Fe1—C3—C2133.2 (2)C5—Fe1—C7—C8171.49 (16)
C1—Fe1—C3—C228.66 (12)C1—Fe1—C7—C8113.16 (16)
C7—Fe1—C3—C4173.53 (19)C10—C9—C8—C70.5 (3)
C11—Fe1—C3—C456.5 (4)Fe1—C9—C8—C759.79 (17)
C8—Fe1—C3—C4146.99 (16)C10—C9—C8—Fe159.27 (17)
C10—Fe1—C3—C469.15 (17)C11—C7—C8—C90.4 (3)
C9—Fe1—C3—C4106.74 (16)Fe1—C7—C8—C960.58 (18)
C2—Fe1—C3—C4133.2 (2)C11—C7—C8—Fe160.20 (17)
C6—Fe1—C3—C466.46 (15)C7—Fe1—C8—C9119.1 (2)
C5—Fe1—C3—C428.54 (14)C11—Fe1—C8—C981.36 (17)
C1—Fe1—C3—C4104.53 (15)C10—Fe1—C8—C937.62 (15)
C4—C3—C2—C11.0 (3)C3—Fe1—C8—C981.62 (16)
Fe1—C3—C2—C151.50 (18)C2—Fe1—C8—C9121.36 (15)
C4—C3—C2—Cl2178.62 (18)C6—Fe1—C8—C9162.74 (15)
Fe1—C3—C2—Cl2126.09 (15)C4—Fe1—C8—C946.3 (2)
C4—C3—C2—Fe152.53 (19)C1—Fe1—C8—C9161.32 (14)
C6—C1—C2—C30.5 (3)C11—Fe1—C8—C737.75 (17)
Cl1—C1—C2—C3178.13 (17)C10—Fe1—C8—C781.49 (17)
Fe1—C1—C2—C351.25 (18)C9—Fe1—C8—C7119.1 (2)
C6—C1—C2—Cl2177.11 (16)C3—Fe1—C8—C7159.27 (16)
Cl1—C1—C2—Cl20.6 (3)C2—Fe1—C8—C7119.53 (16)
Fe1—C1—C2—Cl2126.32 (16)C6—Fe1—C8—C743.6 (2)
C6—C1—C2—Fe150.79 (17)C4—Fe1—C8—C7165.42 (17)
Cl1—C1—C2—Fe1126.88 (16)C1—Fe1—C8—C779.57 (17)
C7—Fe1—C2—C3152.36 (15)C8—C7—C11—C100.1 (3)
C11—Fe1—C2—C3173.6 (2)Fe1—C7—C11—C1060.29 (17)
C8—Fe1—C2—C3112.89 (15)C8—C7—C11—Fe160.19 (17)
C10—Fe1—C2—C354.0 (3)C9—C10—C11—C70.2 (3)
C9—Fe1—C2—C374.51 (16)Fe1—C10—C11—C759.83 (17)
C6—Fe1—C2—C3105.55 (15)C9—C10—C11—Fe160.05 (17)
C5—Fe1—C2—C367.36 (14)C8—Fe1—C11—C737.80 (18)
C4—Fe1—C2—C329.36 (13)C10—Fe1—C11—C7118.8 (2)
C1—Fe1—C2—C3134.39 (18)C9—Fe1—C11—C780.77 (18)
C7—Fe1—C2—C173.24 (15)C3—Fe1—C11—C7135.1 (3)
C11—Fe1—C2—C152.0 (3)C2—Fe1—C11—C729.8 (3)
C8—Fe1—C2—C1112.71 (15)C6—Fe1—C11—C7104.03 (17)
C10—Fe1—C2—C1171.6 (2)C5—Fe1—C11—C7144.75 (16)
C9—Fe1—C2—C1151.10 (14)C4—Fe1—C11—C7179.23 (16)
C3—Fe1—C2—C1134.39 (18)C1—Fe1—C11—C766.55 (18)
C6—Fe1—C2—C128.84 (12)C7—Fe1—C11—C10118.8 (2)
C5—Fe1—C2—C167.03 (14)C8—Fe1—C11—C1081.00 (17)
C4—Fe1—C2—C1105.04 (14)C9—Fe1—C11—C1038.03 (15)
C7—Fe1—C2—Cl240.6 (2)C3—Fe1—C11—C1016.3 (4)
C11—Fe1—C2—Cl261.8 (3)C2—Fe1—C11—C10148.6 (2)
C8—Fe1—C2—Cl21.10 (19)C6—Fe1—C11—C10137.16 (15)
C10—Fe1—C2—Cl257.7 (3)C5—Fe1—C11—C1096.45 (16)
C9—Fe1—C2—Cl237.3 (2)C4—Fe1—C11—C1060.43 (19)
C3—Fe1—C2—Cl2111.8 (2)C1—Fe1—C11—C10174.65 (13)
C6—Fe1—C2—Cl2142.65 (19)
 

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