(η⁵-Cyclo­penta­dienyl)(η⁶-1,2-di­chloro­benzene)­iron(II) hexa­fluoro­phosphate

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.

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

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Computing details

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

Crystal data

[Fe(C5H5)(C6H4Cl2)]PF6	F(000) = 816
Mr = 412.90	Dx = 2.006 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 21436 reflections
a = 7.8972 (6) Å	θ = 2.2–32.3°
b = 12.4909 (7) Å	µ = 1.67 mm^−1
c = 13.8701 (11) Å	T = 150 K
β = 92.325 (6)°	Fragment, orange
V = 1367.06 (17) Å^3	0.45 × 0.30 × 0.25 mm
Z = 4

Data collection

Stoe IPDS-II diffractometer	4814 independent reflections
Radiation source: fine-focus sealed tube	3448 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.031
Area detector scans	θmax = 32.3°, θmin = 2.2°
Absorption correction: numerical (X-SHAPE; Stoe & Cie, 2001)	h = −11→11
Tmin = 0.594, Tmax = 0.834	k = −18→17
25607 measured reflections	l = −20→17

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.041	H-atom parameters constrained
wR(F^2) = 0.109	w = 1/[σ^2(Fo^2) + (0.0678P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.03	(Δ/σ)max = 0.001
4814 reflections	Δρmax = 0.64 e Å^−3
191 parameters	Δρmin = −0.63 e Å^−3
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0084 (10)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Fe1	0.30102 (3)	0.19866 (2)	0.15988 (2)	0.02386 (9)
P1	0.77487 (7)	0.21448 (5)	0.42519 (4)	0.03070 (13)
Cl1	0.22606 (8)	0.01125 (5)	0.33800 (4)	0.03998 (14)
Cl2	−0.05020 (6)	0.03471 (5)	0.16694 (5)	0.04116 (15)
F1	0.76658 (19)	0.20815 (19)	0.31044 (12)	0.0606 (5)
F3	0.97011 (18)	0.24597 (19)	0.42357 (13)	0.0584 (5)
F2	0.7806 (2)	0.22210 (16)	0.54030 (12)	0.0533 (4)
F4	0.5782 (2)	0.18406 (19)	0.42625 (14)	0.0636 (6)
C1	0.2829 (2)	0.04838 (16)	0.22451 (16)	0.0279 (4)
F5	0.7218 (3)	0.33731 (16)	0.41944 (16)	0.0661 (5)
C6	0.4541 (2)	0.07295 (17)	0.20860 (17)	0.0309 (4)
H6A	0.5369	0.0679	0.2600	0.037*
C4	0.3795 (3)	0.1138 (2)	0.04031 (18)	0.0369 (5)
H4A	0.4126	0.1347	−0.0221	0.044*
C3	0.2083 (3)	0.09179 (18)	0.05660 (17)	0.0333 (4)
H3A	0.1251	0.0995	0.0057	0.040*
C2	0.1607 (2)	0.05848 (16)	0.14791 (17)	0.0288 (4)
F6	0.8271 (3)	0.09256 (16)	0.4335 (2)	0.0802 (7)
C5	0.5016 (3)	0.10494 (19)	0.11643 (19)	0.0361 (5)
H5A	0.6169	0.1206	0.1055	0.043*
C9	0.1886 (3)	0.3415 (2)	0.1178 (2)	0.0421 (6)
H9A	0.1250	0.3543	0.0593	0.051*
C10	0.3663 (3)	0.35523 (18)	0.1325 (2)	0.0393 (5)
H10A	0.4430	0.3783	0.0857	0.047*
C7	0.2582 (4)	0.2980 (2)	0.2732 (2)	0.0444 (6)
H7A	0.2491	0.2760	0.3384	0.053*
C8	0.1241 (3)	0.3060 (2)	0.2040 (2)	0.0458 (6)
H8A	0.0086	0.2899	0.2142	0.055*
C11	0.4078 (3)	0.32817 (19)	0.2294 (2)	0.0405 (6)
H11A	0.5179	0.3301	0.2597	0.049*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe1	0.02238 (12)	0.01985 (14)	0.02927 (15)	0.00021 (9)	0.00003 (9)	0.00000 (11)
P1	0.0275 (2)	0.0327 (3)	0.0320 (3)	−0.00134 (19)	0.00178 (19)	−0.0031 (2)
Cl1	0.0447 (3)	0.0389 (3)	0.0366 (3)	−0.0014 (2)	0.0052 (2)	0.0099 (2)
Cl2	0.0273 (2)	0.0353 (3)	0.0607 (4)	−0.00638 (19)	−0.0009 (2)	0.0015 (3)
F1	0.0382 (7)	0.1095 (17)	0.0341 (8)	−0.0041 (8)	0.0032 (6)	−0.0162 (9)
F3	0.0339 (7)	0.0923 (15)	0.0488 (9)	−0.0179 (8)	−0.0013 (6)	−0.0022 (9)
F2	0.0576 (9)	0.0699 (12)	0.0324 (8)	0.0066 (8)	0.0021 (7)	0.0039 (8)
F4	0.0344 (7)	0.0991 (16)	0.0579 (11)	−0.0189 (8)	0.0106 (7)	−0.0178 (10)
C1	0.0308 (8)	0.0202 (8)	0.0328 (10)	0.0016 (7)	0.0027 (7)	0.0023 (8)
F5	0.0927 (14)	0.0394 (9)	0.0675 (13)	0.0128 (9)	0.0190 (11)	0.0114 (9)
C6	0.0277 (8)	0.0245 (9)	0.0404 (12)	0.0046 (7)	−0.0014 (8)	0.0030 (9)
C4	0.0464 (11)	0.0310 (11)	0.0343 (11)	0.0023 (9)	0.0125 (9)	−0.0018 (9)
C3	0.0424 (10)	0.0252 (10)	0.0319 (11)	−0.0012 (8)	−0.0038 (9)	−0.0040 (8)
C2	0.0284 (8)	0.0209 (8)	0.0369 (11)	−0.0016 (7)	−0.0005 (7)	−0.0021 (8)
F6	0.0965 (15)	0.0382 (10)	0.1087 (19)	0.0134 (10)	0.0386 (14)	−0.0045 (11)
C5	0.0296 (9)	0.0294 (10)	0.0502 (14)	0.0049 (8)	0.0115 (9)	0.0025 (10)
C9	0.0480 (12)	0.0251 (10)	0.0517 (15)	0.0070 (9)	−0.0171 (11)	−0.0005 (10)
C10	0.0461 (12)	0.0217 (10)	0.0507 (15)	−0.0058 (8)	0.0095 (10)	0.0031 (10)
C7	0.0672 (16)	0.0267 (11)	0.0401 (13)	0.0005 (10)	0.0107 (11)	−0.0083 (10)
C8	0.0345 (10)	0.0266 (11)	0.077 (2)	0.0050 (8)	0.0118 (11)	−0.0102 (12)
C11	0.0408 (11)	0.0252 (10)	0.0540 (15)	−0.0027 (9)	−0.0155 (11)	−0.0068 (10)

Geometric parameters (Å, º)

Fe1—C7	2.042 (3)	C1—C6	1.413 (3)
Fe1—C11	2.047 (2)	C6—C5	1.405 (3)
Fe1—C8	2.048 (2)	C6—H6A	0.9500
Fe1—C10	2.062 (2)	C4—C5	1.405 (4)
Fe1—C9	2.066 (2)	C4—C3	1.408 (3)
Fe1—C3	2.070 (2)	C4—H4A	0.9500
Fe1—C2	2.075 (2)	C3—C2	1.399 (3)
Fe1—C6	2.078 (2)	C3—H3A	0.9500
Fe1—C5	2.078 (2)	C5—H5A	0.9500
Fe1—C4	2.084 (2)	C9—C8	1.391 (4)
Fe1—C1	2.088 (2)	C9—C10	1.420 (3)
P1—F6	1.581 (2)	C9—H9A	0.9500
P1—F5	1.592 (2)	C10—C11	1.412 (4)
P1—F1	1.5922 (17)	C10—H10A	0.9500
P1—F3	1.5922 (15)	C7—C11	1.402 (4)
P1—F2	1.5983 (17)	C7—C8	1.404 (4)
P1—F4	1.5996 (16)	C7—H7A	0.9500
Cl1—C1	1.718 (2)	C8—H8A	0.9500
Cl2—C2	1.723 (2)	C11—H11A	0.9500
C1—C2	1.411 (3)
C7—Fe1—C11	40.11 (12)	F3—P1—F4	179.37 (13)
C7—Fe1—C8	40.16 (12)	F2—P1—F4	89.61 (10)
C11—Fe1—C8	67.36 (10)	C2—C1—C6	119.49 (19)
C7—Fe1—C10	67.43 (11)	C2—C1—Cl1	121.20 (16)
C11—Fe1—C10	40.20 (11)	C6—C1—Cl1	119.27 (16)
C8—Fe1—C10	67.22 (10)	C2—C1—Fe1	69.70 (12)
C7—Fe1—C9	67.05 (12)	C6—C1—Fe1	69.80 (12)
C11—Fe1—C9	67.35 (10)	Cl1—C1—Fe1	131.39 (12)
C8—Fe1—C9	39.52 (12)	C5—C6—C1	119.77 (19)
C10—Fe1—C9	40.24 (10)	C5—C6—Fe1	70.27 (12)
C7—Fe1—C3	149.27 (11)	C1—C6—Fe1	70.55 (11)
C11—Fe1—C3	164.33 (11)	C5—C6—H6A	120.1
C8—Fe1—C3	113.71 (10)	C1—C6—H6A	120.1
C10—Fe1—C3	124.61 (10)	Fe1—C6—H6A	131.9
C9—Fe1—C3	103.02 (9)	C5—C4—C3	119.9 (2)
C7—Fe1—C2	118.01 (10)	C5—C4—Fe1	70.08 (14)
C11—Fe1—C2	155.89 (11)	C3—C4—Fe1	69.68 (13)
C8—Fe1—C2	101.99 (9)	C5—C4—H4A	120.1
C10—Fe1—C2	157.26 (10)	C3—C4—H4A	120.1
C9—Fe1—C2	118.95 (9)	Fe1—C4—H4A	133.4
C3—Fe1—C2	39.44 (9)	C2—C3—C4	119.9 (2)
C7—Fe1—C6	108.74 (11)	C2—C3—Fe1	70.47 (12)
C11—Fe1—C6	102.76 (9)	C4—C3—Fe1	70.70 (13)
C8—Fe1—C6	142.44 (12)	C2—C3—H3A	120.1
C10—Fe1—C6	129.07 (9)	C4—C3—H3A	120.1
C9—Fe1—C6	169.10 (9)	Fe1—C3—H3A	131.6
C3—Fe1—C6	85.56 (9)	C3—C2—C1	120.52 (19)
C2—Fe1—C6	71.95 (8)	C3—C2—Cl2	119.12 (16)
C7—Fe1—C5	135.86 (11)	C1—C2—Cl2	120.31 (17)
C11—Fe1—C5	106.11 (10)	C3—C2—Fe1	70.09 (12)
C8—Fe1—C5	173.04 (10)	C1—C2—Fe1	70.66 (11)
C10—Fe1—C5	106.36 (10)	Cl2—C2—Fe1	130.51 (12)
C9—Fe1—C5	136.73 (11)	C4—C5—C6	120.41 (19)
C3—Fe1—C5	71.86 (10)	C4—C5—Fe1	70.47 (13)
C2—Fe1—C5	84.96 (9)	C6—C5—Fe1	70.22 (12)
C6—Fe1—C5	39.51 (9)	C4—C5—H5A	119.8
C7—Fe1—C4	170.38 (11)	C6—C5—H5A	119.8
C11—Fe1—C4	130.28 (11)	Fe1—C5—H5A	132.6
C8—Fe1—C4	143.07 (12)	C8—C9—C10	108.1 (2)
C10—Fe1—C4	104.53 (10)	C8—C9—Fe1	69.53 (14)
C9—Fe1—C4	110.64 (11)	C10—C9—Fe1	69.72 (13)
C3—Fe1—C4	39.62 (9)	C8—C9—H9A	126.0
C2—Fe1—C4	71.48 (9)	C10—C9—H9A	126.0
C6—Fe1—C4	71.73 (10)	Fe1—C9—H9A	126.4
C5—Fe1—C4	39.45 (10)	C11—C10—C9	107.3 (2)
C7—Fe1—C1	101.50 (10)	C11—C10—Fe1	69.35 (13)
C11—Fe1—C1	122.84 (10)	C9—C10—Fe1	70.05 (13)
C8—Fe1—C1	113.63 (10)	C11—C10—H10A	126.4
C10—Fe1—C1	162.58 (10)	C9—C10—H10A	126.4
C9—Fe1—C1	149.48 (10)	Fe1—C10—H10A	125.8
C3—Fe1—C1	71.87 (9)	C11—C7—C8	108.0 (3)
C2—Fe1—C1	39.64 (8)	C11—C7—Fe1	70.16 (15)
C6—Fe1—C1	39.65 (8)	C8—C7—Fe1	70.15 (15)
C5—Fe1—C1	71.61 (9)	C11—C7—H7A	126.0
C4—Fe1—C1	84.97 (9)	C8—C7—H7A	126.0
F6—P1—F5	178.70 (13)	Fe1—C7—H7A	125.3
F6—P1—F1	91.42 (13)	C9—C8—C7	108.5 (2)
F5—P1—F1	89.87 (12)	C9—C8—Fe1	70.96 (14)
F6—P1—F3	89.38 (12)	C7—C8—Fe1	69.69 (14)
F5—P1—F3	90.81 (12)	C9—C8—H8A	125.7
F1—P1—F3	89.93 (9)	C7—C8—H8A	125.7
F6—P1—F2	89.32 (13)	Fe1—C8—H8A	125.2
F5—P1—F2	89.39 (11)	C7—C11—C10	108.1 (2)
F1—P1—F2	179.07 (11)	C7—C11—Fe1	69.72 (14)
F3—P1—F2	90.64 (10)	C10—C11—Fe1	70.45 (13)
F6—P1—F4	91.20 (13)	C7—C11—H11A	126.0
F5—P1—F4	88.62 (12)	C10—C11—H11A	126.0
F1—P1—F4	89.82 (9)	Fe1—C11—H11A	125.4
C7—Fe1—C1—C2	120.38 (14)	C5—Fe1—C2—Cl2	−179.16 (18)
C11—Fe1—C1—C2	157.48 (14)	C4—Fe1—C2—Cl2	−141.15 (19)
C8—Fe1—C1—C2	80.05 (15)	C1—Fe1—C2—Cl2	113.8 (2)
C10—Fe1—C1—C2	169.1 (3)	C3—C4—C5—C6	0.7 (3)
C9—Fe1—C1—C2	56.4 (2)	Fe1—C4—C5—C6	51.4 (2)
C3—Fe1—C1—C2	−28.53 (13)	C3—C4—C5—Fe1	−50.6 (2)
C6—Fe1—C1—C2	−134.05 (19)	C1—C6—C5—C4	0.7 (3)
C5—Fe1—C1—C2	−104.86 (14)	Fe1—C6—C5—C4	−51.5 (2)
C4—Fe1—C1—C2	−66.82 (13)	C1—C6—C5—Fe1	52.22 (18)
C7—Fe1—C1—C6	−105.57 (15)	C7—Fe1—C5—C4	−167.36 (16)
C11—Fe1—C1—C6	−68.47 (16)	C11—Fe1—C5—C4	−135.08 (15)
C8—Fe1—C1—C6	−145.90 (15)	C10—Fe1—C5—C4	−93.14 (16)
C10—Fe1—C1—C6	−56.9 (3)	C9—Fe1—C5—C4	−61.23 (19)
C9—Fe1—C1—C6	−169.56 (18)	C3—Fe1—C5—C4	28.65 (14)
C3—Fe1—C1—C6	105.52 (15)	C2—Fe1—C5—C4	66.75 (15)
C2—Fe1—C1—C6	134.05 (19)	C6—Fe1—C5—C4	134.3 (2)
C5—Fe1—C1—C6	29.19 (14)	C1—Fe1—C5—C4	104.99 (15)
C4—Fe1—C1—C6	67.23 (14)	C7—Fe1—C5—C6	58.36 (19)
C7—Fe1—C1—Cl1	6.17 (17)	C11—Fe1—C5—C6	90.64 (15)
C11—Fe1—C1—Cl1	43.26 (19)	C10—Fe1—C5—C6	132.58 (14)
C8—Fe1—C1—Cl1	−34.17 (19)	C9—Fe1—C5—C6	164.49 (14)
C10—Fe1—C1—Cl1	54.9 (4)	C3—Fe1—C5—C6	−105.63 (15)
C9—Fe1—C1—Cl1	−57.8 (3)	C2—Fe1—C5—C6	−67.53 (14)
C3—Fe1—C1—Cl1	−142.75 (17)	C4—Fe1—C5—C6	−134.3 (2)
C2—Fe1—C1—Cl1	−114.2 (2)	C1—Fe1—C5—C6	−29.29 (13)
C6—Fe1—C1—Cl1	111.7 (2)	C7—Fe1—C9—C8	−37.73 (16)
C5—Fe1—C1—Cl1	140.92 (17)	C11—Fe1—C9—C8	−81.41 (18)
C4—Fe1—C1—Cl1	178.96 (16)	C10—Fe1—C9—C8	−119.4 (2)
C2—C1—C6—C5	−1.3 (3)	C3—Fe1—C9—C8	111.61 (16)
Cl1—C1—C6—C5	−179.06 (17)	C2—Fe1—C9—C8	72.68 (18)
Fe1—C1—C6—C5	−52.09 (18)	C5—Fe1—C9—C8	−171.13 (16)
C2—C1—C6—Fe1	50.75 (17)	C4—Fe1—C9—C8	152.34 (16)
Cl1—C1—C6—Fe1	−126.97 (15)	C1—Fe1—C9—C8	35.3 (3)
C7—Fe1—C6—C5	−141.24 (15)	C7—Fe1—C9—C10	81.67 (17)
C11—Fe1—C6—C5	−99.93 (16)	C11—Fe1—C9—C10	37.99 (16)
C8—Fe1—C6—C5	−169.27 (16)	C8—Fe1—C9—C10	119.4 (2)
C10—Fe1—C6—C5	−65.52 (18)	C3—Fe1—C9—C10	−129.00 (16)
C3—Fe1—C6—C5	66.62 (15)	C2—Fe1—C9—C10	−167.93 (15)
C2—Fe1—C6—C5	104.49 (15)	C5—Fe1—C9—C10	−51.7 (2)
C4—Fe1—C6—C5	28.62 (14)	C4—Fe1—C9—C10	−88.27 (17)
C1—Fe1—C6—C5	133.3 (2)	C1—Fe1—C9—C10	154.69 (18)
C7—Fe1—C6—C1	85.44 (15)	C8—C9—C10—C11	−0.5 (3)
C11—Fe1—C6—C1	126.75 (15)	Fe1—C9—C10—C11	−59.61 (17)
C8—Fe1—C6—C1	57.4 (2)	C8—C9—C10—Fe1	59.15 (17)
C10—Fe1—C6—C1	161.16 (14)	C7—Fe1—C10—C11	37.69 (16)
C9—Fe1—C6—C1	150.9 (5)	C8—Fe1—C10—C11	81.38 (18)
C3—Fe1—C6—C1	−66.70 (14)	C9—Fe1—C10—C11	118.3 (2)
C2—Fe1—C6—C1	−28.83 (13)	C3—Fe1—C10—C11	−174.72 (15)
C5—Fe1—C6—C1	−133.3 (2)	C2—Fe1—C10—C11	146.6 (2)
C4—Fe1—C6—C1	−104.70 (14)	C6—Fe1—C10—C11	−58.66 (19)
C11—Fe1—C4—C5	62.78 (18)	C5—Fe1—C10—C11	−95.77 (16)
C8—Fe1—C4—C5	169.50 (16)	C4—Fe1—C10—C11	−136.73 (15)
C10—Fe1—C4—C5	98.22 (15)	C1—Fe1—C10—C11	−15.2 (4)
C9—Fe1—C4—C5	140.05 (14)	C7—Fe1—C10—C9	−80.65 (18)
C3—Fe1—C4—C5	−134.4 (2)	C11—Fe1—C10—C9	−118.3 (2)
C2—Fe1—C4—C5	−105.15 (15)	C8—Fe1—C10—C9	−36.96 (17)
C6—Fe1—C4—C5	−28.66 (13)	C3—Fe1—C10—C9	66.94 (19)
C1—Fe1—C4—C5	−66.95 (14)	C2—Fe1—C10—C9	28.3 (3)
C11—Fe1—C4—C3	−162.83 (14)	C6—Fe1—C10—C9	−177.01 (16)
C8—Fe1—C4—C3	−56.1 (2)	C5—Fe1—C10—C9	145.88 (17)
C10—Fe1—C4—C3	−127.39 (15)	C4—Fe1—C10—C9	104.93 (17)
C9—Fe1—C4—C3	−85.56 (16)	C1—Fe1—C10—C9	−133.5 (3)
C2—Fe1—C4—C3	29.24 (13)	C8—Fe1—C7—C11	−118.7 (2)
C6—Fe1—C4—C3	105.73 (15)	C10—Fe1—C7—C11	−37.77 (15)
C5—Fe1—C4—C3	134.4 (2)	C9—Fe1—C7—C11	−81.57 (17)
C1—Fe1—C4—C3	67.44 (14)	C3—Fe1—C7—C11	−158.08 (18)
C5—C4—C3—C2	−1.6 (3)	C2—Fe1—C7—C11	166.70 (14)
Fe1—C4—C3—C2	−52.42 (19)	C6—Fe1—C7—C11	87.66 (16)
C5—C4—C3—Fe1	50.8 (2)	C5—Fe1—C7—C11	52.8 (2)
C7—Fe1—C3—C2	−53.3 (2)	C1—Fe1—C7—C11	128.14 (15)
C11—Fe1—C3—C2	−170.4 (3)	C11—Fe1—C7—C8	118.7 (2)
C8—Fe1—C3—C2	−79.81 (15)	C10—Fe1—C7—C8	80.94 (17)
C10—Fe1—C3—C2	−157.65 (13)	C9—Fe1—C7—C8	37.14 (16)
C9—Fe1—C3—C2	−120.06 (14)	C3—Fe1—C7—C8	−39.4 (3)
C6—Fe1—C3—C2	66.74 (13)	C2—Fe1—C7—C8	−74.59 (18)
C5—Fe1—C3—C2	104.65 (14)	C6—Fe1—C7—C8	−153.63 (16)
C4—Fe1—C3—C2	133.2 (2)	C5—Fe1—C7—C8	171.49 (16)
C1—Fe1—C3—C2	28.66 (12)	C1—Fe1—C7—C8	−113.16 (16)
C7—Fe1—C3—C4	173.53 (19)	C10—C9—C8—C7	0.5 (3)
C11—Fe1—C3—C4	56.5 (4)	Fe1—C9—C8—C7	59.79 (17)
C8—Fe1—C3—C4	146.99 (16)	C10—C9—C8—Fe1	−59.27 (17)
C10—Fe1—C3—C4	69.15 (17)	C11—C7—C8—C9	−0.4 (3)
C9—Fe1—C3—C4	106.74 (16)	Fe1—C7—C8—C9	−60.58 (18)
C2—Fe1—C3—C4	−133.2 (2)	C11—C7—C8—Fe1	60.20 (17)
C6—Fe1—C3—C4	−66.46 (15)	C7—Fe1—C8—C9	119.1 (2)
C5—Fe1—C3—C4	−28.54 (14)	C11—Fe1—C8—C9	81.36 (17)
C1—Fe1—C3—C4	−104.53 (15)	C10—Fe1—C8—C9	37.62 (15)
C4—C3—C2—C1	1.0 (3)	C3—Fe1—C8—C9	−81.62 (16)
Fe1—C3—C2—C1	−51.50 (18)	C2—Fe1—C8—C9	−121.36 (15)
C4—C3—C2—Cl2	178.62 (18)	C6—Fe1—C8—C9	162.74 (15)
Fe1—C3—C2—Cl2	126.09 (15)	C4—Fe1—C8—C9	−46.3 (2)
C4—C3—C2—Fe1	52.53 (19)	C1—Fe1—C8—C9	−161.32 (14)
C6—C1—C2—C3	0.5 (3)	C11—Fe1—C8—C7	−37.75 (17)
Cl1—C1—C2—C3	178.13 (17)	C10—Fe1—C8—C7	−81.49 (17)
Fe1—C1—C2—C3	51.25 (18)	C9—Fe1—C8—C7	−119.1 (2)
C6—C1—C2—Cl2	−177.11 (16)	C3—Fe1—C8—C7	159.27 (16)
Cl1—C1—C2—Cl2	0.6 (3)	C2—Fe1—C8—C7	119.53 (16)
Fe1—C1—C2—Cl2	−126.32 (16)	C6—Fe1—C8—C7	43.6 (2)
C6—C1—C2—Fe1	−50.79 (17)	C4—Fe1—C8—C7	−165.42 (17)
Cl1—C1—C2—Fe1	126.88 (16)	C1—Fe1—C8—C7	79.57 (17)
C7—Fe1—C2—C3	152.36 (15)	C8—C7—C11—C10	0.1 (3)
C11—Fe1—C2—C3	173.6 (2)	Fe1—C7—C11—C10	60.29 (17)
C8—Fe1—C2—C3	112.89 (15)	C8—C7—C11—Fe1	−60.19 (17)
C10—Fe1—C2—C3	54.0 (3)	C9—C10—C11—C7	0.2 (3)
C9—Fe1—C2—C3	74.51 (16)	Fe1—C10—C11—C7	−59.83 (17)
C6—Fe1—C2—C3	−105.55 (15)	C9—C10—C11—Fe1	60.05 (17)
C5—Fe1—C2—C3	−67.36 (14)	C8—Fe1—C11—C7	37.80 (18)
C4—Fe1—C2—C3	−29.36 (13)	C10—Fe1—C11—C7	118.8 (2)
C1—Fe1—C2—C3	−134.39 (18)	C9—Fe1—C11—C7	80.77 (18)
C7—Fe1—C2—C1	−73.24 (15)	C3—Fe1—C11—C7	135.1 (3)
C11—Fe1—C2—C1	−52.0 (3)	C2—Fe1—C11—C7	−29.8 (3)
C8—Fe1—C2—C1	−112.71 (15)	C6—Fe1—C11—C7	−104.03 (17)
C10—Fe1—C2—C1	−171.6 (2)	C5—Fe1—C11—C7	−144.75 (16)
C9—Fe1—C2—C1	−151.10 (14)	C4—Fe1—C11—C7	179.23 (16)
C3—Fe1—C2—C1	134.39 (18)	C1—Fe1—C11—C7	−66.55 (18)
C6—Fe1—C2—C1	28.84 (12)	C7—Fe1—C11—C10	−118.8 (2)
C5—Fe1—C2—C1	67.03 (14)	C8—Fe1—C11—C10	−81.00 (17)
C4—Fe1—C2—C1	105.04 (14)	C9—Fe1—C11—C10	−38.03 (15)
C7—Fe1—C2—Cl2	40.6 (2)	C3—Fe1—C11—C10	16.3 (4)
C11—Fe1—C2—Cl2	61.8 (3)	C2—Fe1—C11—C10	−148.6 (2)
C8—Fe1—C2—Cl2	1.10 (19)	C6—Fe1—C11—C10	137.16 (15)
C10—Fe1—C2—Cl2	−57.7 (3)	C5—Fe1—C11—C10	96.45 (16)
C9—Fe1—C2—Cl2	−37.3 (2)	C4—Fe1—C11—C10	60.43 (19)
C3—Fe1—C2—Cl2	−111.8 (2)	C1—Fe1—C11—C10	174.65 (13)
C6—Fe1—C2—Cl2	142.65 (19)