1,1'-Bis[bis-(4-tert-butyl-phen-yl)meth-yl]ferrocene.

The molecule of the title compound, [Fe(C26H31)2], is located on an inversion center. The two cyclopentadienyl rings exhibit a staggered conformation, which results from the bulky bis(4-tert-butylphenyl)methyl substituents situated on opposite sides of the molecule.

Related literature

For reports of the Gomberg radical, see: Gomberg (1900 ▶, 1901 ▶, 1902 ▶). For solution behavior of the triphenyl­methyl radical, see: Lankamp et al. (1968 ▶); McBride (1974 ▶). For paramagnetic cyclopentadienyliron complexes, see: Sitzmann et al. (1996 ▶); Sitzmann (2001 ▶); Weismann et al. (2011 ▶). For cyclo­penta­dienyl radicals, see: Sitzmann et al. (1998 ▶, 2000 ▶).

Experimental

Crystal data

[Fe(C26H31)2]

M = 742.87

Monoclinic,

a = 6.0893 (2) Å

b = 30.7616 (8) Å

c = 11.0983 (3) Å

β = 98.982 (3)°

V = 2053.40 (10) Å3

Z = 2

Cu Kα radiation

μ = 3.19 mm−1

T = 150 K

0.18 × 0.13 × 0.09 mm

Data collection

Oxford Diffraction Xcalibur Sapphire3 Gemini ultra diffractometer

Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010) ▶ T min = 0.889, T max = 1.000

12754 measured reflections

3267 independent reflections

2784 reflections with I > 2σ(I)

R int = 0.028

Refinement

R[F 2 > 2σ(F 2)] = 0.027

wR(F 2) = 0.071

S = 1.01

3267 reflections

247 parameters

H-atom parameters constrained

Δρmax = 0.17 e Å−3

Δρmin = −0.29 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2010 ▶); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2010 ▶); program(s) used to solve structure: SIR92 (Altomare et al., 1994 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: Mercury (Macrae et al., 2008 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S1600536812041360/mw2088sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812041360/mw2088Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Fe(C26H31)2]	F(000) = 800
Mr = 742.87	Dx = 1.201 Mg m−3
Monoclinic, P21/n	Cu Kα radiation, λ = 1.54184 Å
Hall symbol: -P 2yn	Cell parameters from 6229 reflections
a = 6.0893 (2) Å	θ = 2.9–62.6°
b = 30.7616 (8) Å	µ = 3.19 mm−1
c = 11.0983 (3) Å	T = 150 K
β = 98.982 (3)°	Plate, yellow
V = 2053.40 (10) Å3	0.18 × 0.13 × 0.09 mm
Z = 2

Oxford Diffraction Xcalibur Sapphire3 Gemini ultra diffractometer	3267 independent reflections
Radiation source: Enhance Ultra (Cu) X-ray Source	2784 reflections with I > 2σ(I)
Mirror monochromator	Rint = 0.028
Detector resolution: 16.1399 pixels mm-1	θmax = 62.7°, θmin = 2.9°
ω scans	h = −6→5
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010)	k = −31→35
Tmin = 0.889, Tmax = 1.000	l = −12→12
12754 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.027	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0434P)2] where P = (Fo2 + 2Fc2)/3
3267 reflections	(Δ/σ)max < 0.001
247 parameters	Δρmax = 0.17 e Å−3
0 restraints	Δρmin = −0.29 e Å−3

Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'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 > 2σ(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. All hydrogen atoms were placed in calculated positions (C–H 0.96, 0.98 or 1.00 Å) and refined by using a riding model.

	x	y	z	Uiso*/Ueq
C1	0.3111 (2)	0.44424 (5)	0.46953 (13)	0.0208 (3)
C2	0.5266 (3)	0.43796 (5)	0.43750 (13)	0.0236 (3)
H2	0.6324	0.4169	0.4717	0.028*
C3	0.5560 (3)	0.46865 (5)	0.34559 (14)	0.0269 (4)
H3	0.6848	0.4716	0.3078	0.032*
C4	0.3609 (3)	0.49414 (5)	0.31997 (13)	0.0265 (4)
H4	0.3355	0.5171	0.2624	0.032*
C5	0.2100 (3)	0.47904 (5)	0.39611 (13)	0.0228 (3)
H5	0.0653	0.4903	0.3978	0.027*
C6	0.1928 (2)	0.41733 (5)	0.55424 (13)	0.0207 (3)
H6	0.0580	0.4342	0.5671	0.025*
C7	0.1099 (2)	0.37397 (5)	0.49700 (13)	0.0213 (3)
C8	−0.0287 (3)	0.34847 (5)	0.55661 (14)	0.0266 (4)
H8	−0.0632	0.3579	0.6330	0.032*
C9	−0.1173 (3)	0.30991 (5)	0.50777 (15)	0.0289 (4)
H9	−0.2132	0.2937	0.5506	0.035*
C10	−0.0690 (2)	0.29413 (5)	0.39658 (14)	0.0235 (3)
C11	0.0726 (3)	0.31913 (5)	0.33893 (14)	0.0274 (4)
H11	0.1119	0.3092	0.2641	0.033*
C12	0.1593 (3)	0.35845 (5)	0.38752 (14)	0.0268 (4)
H12	0.2542	0.3749	0.3446	0.032*
C13	−0.1713 (3)	0.25134 (5)	0.34417 (15)	0.0291 (4)
C14	−0.1032 (3)	0.21442 (6)	0.43535 (18)	0.0439 (5)
H14A	0.0593	0.2127	0.4530	0.066*
H14B	−0.1631	0.1868	0.4002	0.066*
H14C	−0.1624	0.2202	0.5110	0.066*
C15	−0.4254 (3)	0.25543 (6)	0.32226 (19)	0.0446 (5)
H15A	−0.4774	0.2618	0.3996	0.067*
H15B	−0.4914	0.2281	0.2888	0.067*
H15C	−0.4699	0.2791	0.2644	0.067*
C16	−0.0956 (3)	0.23944 (6)	0.22250 (16)	0.0382 (4)
H16A	−0.1366	0.2628	0.1633	0.057*
H16B	−0.1679	0.2124	0.1912	0.057*
H16C	0.0661	0.2355	0.2354	0.057*
C17	0.3308 (2)	0.41091 (5)	0.67958 (13)	0.0211 (3)
C18	0.2846 (3)	0.43382 (5)	0.78101 (14)	0.0240 (3)
H18	0.1578	0.4522	0.7734	0.029*
C19	0.4209 (3)	0.43015 (5)	0.89289 (13)	0.0245 (4)
H19	0.3853	0.4462	0.9604	0.029*
C20	0.6087 (3)	0.40365 (5)	0.90922 (13)	0.0226 (3)
C21	0.6488 (3)	0.37976 (5)	0.80823 (13)	0.0244 (3)
H21	0.7732	0.3608	0.8162	0.029*
C22	0.5115 (3)	0.38301 (5)	0.69618 (14)	0.0240 (3)
H22	0.5421	0.3658	0.6297	0.029*
C23	0.7610 (3)	0.40157 (5)	1.03284 (14)	0.0260 (4)
C24	0.8546 (3)	0.44714 (6)	1.06587 (15)	0.0358 (4)
H24A	0.9356	0.4575	1.0017	0.054*
H24B	0.9560	0.4459	1.1436	0.054*
H24C	0.7321	0.4671	1.0733	0.054*
C25	0.6265 (3)	0.38601 (6)	1.13129 (14)	0.0320 (4)
H25A	0.5061	0.4066	1.1373	0.048*
H25B	0.7245	0.3842	1.2101	0.048*
H25C	0.5635	0.3573	1.1091	0.048*
C26	0.9574 (3)	0.37061 (6)	1.03084 (15)	0.0335 (4)
H26A	0.9017	0.3410	1.0130	0.050*
H26B	1.0530	0.3711	1.1105	0.050*
H26C	1.0432	0.3799	0.9677	0.050*
Fe1	0.5000	0.5000	0.5000	0.01935 (11)

	U11	U22	U33	U12	U13	U23
C1	0.0256 (8)	0.0166 (8)	0.0194 (8)	−0.0032 (6)	0.0008 (6)	−0.0040 (6)
C2	0.0272 (9)	0.0183 (8)	0.0250 (8)	−0.0019 (7)	0.0036 (6)	−0.0059 (6)
C3	0.0333 (9)	0.0273 (9)	0.0213 (8)	−0.0084 (7)	0.0079 (7)	−0.0092 (7)
C4	0.0352 (9)	0.0256 (9)	0.0169 (8)	−0.0089 (7)	−0.0016 (6)	0.0000 (6)
C5	0.0235 (8)	0.0213 (8)	0.0215 (8)	−0.0021 (6)	−0.0028 (6)	−0.0027 (6)
C6	0.0225 (8)	0.0182 (8)	0.0214 (8)	0.0021 (6)	0.0031 (6)	0.0005 (6)
C7	0.0212 (8)	0.0201 (8)	0.0215 (8)	0.0025 (6)	−0.0002 (6)	0.0018 (6)
C8	0.0308 (9)	0.0257 (9)	0.0245 (9)	−0.0020 (7)	0.0082 (7)	−0.0023 (7)
C9	0.0291 (9)	0.0254 (9)	0.0332 (9)	−0.0050 (7)	0.0079 (7)	0.0009 (7)
C10	0.0227 (8)	0.0192 (8)	0.0270 (8)	0.0026 (7)	−0.0014 (6)	0.0005 (6)
C11	0.0334 (9)	0.0253 (9)	0.0235 (8)	−0.0021 (7)	0.0044 (7)	−0.0035 (7)
C12	0.0334 (9)	0.0239 (9)	0.0235 (8)	−0.0062 (7)	0.0056 (7)	0.0000 (7)
C13	0.0302 (9)	0.0210 (8)	0.0347 (9)	−0.0017 (7)	0.0007 (7)	−0.0029 (7)
C14	0.0592 (13)	0.0221 (9)	0.0485 (12)	−0.0034 (9)	0.0023 (10)	0.0008 (8)
C15	0.0308 (11)	0.0397 (11)	0.0609 (13)	−0.0070 (9)	−0.0006 (9)	−0.0137 (9)
C16	0.0429 (11)	0.0280 (10)	0.0424 (11)	−0.0061 (8)	0.0023 (8)	−0.0117 (8)
C17	0.0246 (8)	0.0182 (8)	0.0209 (8)	−0.0047 (6)	0.0044 (6)	0.0000 (6)
C18	0.0271 (9)	0.0206 (8)	0.0253 (8)	0.0008 (7)	0.0073 (7)	−0.0002 (6)
C19	0.0327 (9)	0.0218 (8)	0.0198 (8)	−0.0009 (7)	0.0066 (7)	−0.0024 (6)
C20	0.0281 (9)	0.0196 (8)	0.0207 (8)	−0.0035 (7)	0.0058 (6)	0.0015 (6)
C21	0.0269 (9)	0.0221 (8)	0.0237 (8)	0.0029 (7)	0.0028 (6)	0.0005 (6)
C22	0.0315 (9)	0.0197 (8)	0.0210 (8)	0.0011 (7)	0.0048 (6)	−0.0024 (6)
C23	0.0298 (9)	0.0276 (9)	0.0199 (8)	−0.0025 (7)	0.0018 (6)	−0.0003 (7)
C24	0.0411 (11)	0.0337 (10)	0.0308 (9)	−0.0081 (8)	−0.0006 (8)	−0.0033 (8)
C25	0.0383 (10)	0.0363 (10)	0.0212 (8)	−0.0017 (8)	0.0038 (7)	0.0010 (7)
C26	0.0343 (10)	0.0394 (10)	0.0254 (9)	0.0020 (8)	−0.0001 (7)	0.0023 (8)
Fe1	0.02376 (19)	0.01684 (18)	0.01674 (17)	−0.00199 (15)	0.00099 (12)	−0.00149 (14)

C1—C2	1.425 (2)	C15—H15A	0.9800
C1—C5	1.425 (2)	C15—H15B	0.9800
C1—C6	1.516 (2)	C15—H15C	0.9800
C1—Fe1	2.0634 (14)	C16—H16A	0.9800
C2—C3	1.421 (2)	C16—H16B	0.9800
C2—Fe1	2.0455 (15)	C16—H16C	0.9800
C2—H2	0.9500	C17—C22	1.385 (2)
C3—C4	1.415 (2)	C17—C18	1.394 (2)
C3—Fe1	2.0409 (15)	C18—C19	1.386 (2)
C3—H3	0.9500	C18—H18	0.9500
C4—C5	1.420 (2)	C19—C20	1.393 (2)
C4—Fe1	2.0527 (15)	C19—H19	0.9500
C4—H4	0.9500	C20—C21	1.393 (2)
C5—Fe1	2.0560 (14)	C20—C23	1.533 (2)
C5—H5	0.9500	C21—C22	1.390 (2)
C6—C17	1.522 (2)	C21—H21	0.9500
C6—C7	1.529 (2)	C22—H22	0.9500
C6—H6	1.0000	C23—C26	1.532 (2)
C7—C12	1.382 (2)	C23—C24	1.536 (2)
C7—C8	1.393 (2)	C23—C25	1.541 (2)
C8—C9	1.379 (2)	C24—H24A	0.9800
C8—H8	0.9500	C24—H24B	0.9800
C9—C10	1.399 (2)	C24—H24C	0.9800
C9—H9	0.9500	C25—H25A	0.9800
C10—C11	1.385 (2)	C25—H25B	0.9800
C10—C13	1.531 (2)	C25—H25C	0.9800
C11—C12	1.394 (2)	C26—H26A	0.9800
C11—H11	0.9500	C26—H26B	0.9800
C12—H12	0.9500	C26—H26C	0.9800
C13—C15	1.534 (2)	Fe1—C3i	2.0409 (15)
C13—C14	1.535 (2)	Fe1—C2i	2.0455 (15)
C13—C16	1.538 (2)	Fe1—C4i	2.0527 (15)
C14—H14A	0.9800	Fe1—C5i	2.0560 (15)
C14—H14B	0.9800	Fe1—C1i	2.0634 (15)
C14—H14C	0.9800
C2—C1—C5	106.94 (13)	C17—C18—H18	119.5
C2—C1—C6	128.72 (13)	C18—C19—C20	121.92 (14)
C5—C1—C6	124.05 (14)	C18—C19—H19	119.0
C2—C1—Fe1	69.04 (8)	C20—C19—H19	119.0
C5—C1—Fe1	69.48 (8)	C19—C20—C21	116.58 (14)
C6—C1—Fe1	131.21 (10)	C19—C20—C23	120.70 (13)
C3—C2—C1	108.24 (14)	C21—C20—C23	122.72 (14)
C3—C2—Fe1	69.47 (9)	C22—C21—C20	121.70 (15)
C1—C2—Fe1	70.38 (8)	C22—C21—H21	119.2
C3—C2—H2	125.9	C20—C21—H21	119.2
C1—C2—H2	125.9	C17—C22—C21	121.21 (14)
Fe1—C2—H2	125.8	C17—C22—H22	119.4
C4—C3—C2	108.45 (14)	C21—C22—H22	119.4
C4—C3—Fe1	70.23 (8)	C26—C23—C20	112.19 (13)
C2—C3—Fe1	69.82 (8)	C26—C23—C24	108.03 (14)
C4—C3—H3	125.8	C20—C23—C24	109.01 (13)
C2—C3—H3	125.8	C26—C23—C25	108.64 (13)
Fe1—C3—H3	125.8	C20—C23—C25	109.48 (13)
C3—C4—C5	107.45 (14)	C24—C23—C25	109.45 (13)
C3—C4—Fe1	69.33 (8)	C23—C24—H24A	109.5
C5—C4—Fe1	69.91 (8)	C23—C24—H24B	109.5
C3—C4—H4	126.3	H24A—C24—H24B	109.5
C5—C4—H4	126.3	C23—C24—H24C	109.5
Fe1—C4—H4	126.1	H24A—C24—H24C	109.5
C4—C5—C1	108.92 (14)	H24B—C24—H24C	109.5
C4—C5—Fe1	69.66 (8)	C23—C25—H25A	109.5
C1—C5—Fe1	70.03 (8)	C23—C25—H25B	109.5
C4—C5—H5	125.5	H25A—C25—H25B	109.5
C1—C5—H5	125.5	C23—C25—H25C	109.5
Fe1—C5—H5	126.3	H25A—C25—H25C	109.5
C1—C6—C17	112.94 (12)	H25B—C25—H25C	109.5
C1—C6—C7	112.14 (12)	C23—C26—H26A	109.5
C17—C6—C7	111.48 (12)	C23—C26—H26B	109.5
C1—C6—H6	106.6	H26A—C26—H26B	109.5
C17—C6—H6	106.6	C23—C26—H26C	109.5
C7—C6—H6	106.6	H26A—C26—H26C	109.5
C12—C7—C8	117.03 (14)	H26B—C26—H26C	109.5
C12—C7—C6	124.30 (14)	C3i—Fe1—C3	180.00 (8)
C8—C7—C6	118.65 (13)	C3i—Fe1—C2i	40.71 (6)
C9—C8—C7	121.78 (15)	C3—Fe1—C2i	139.29 (6)
C9—C8—H8	119.1	C3i—Fe1—C2	139.29 (6)
C7—C8—H8	119.1	C3—Fe1—C2	40.71 (6)
C8—C9—C10	121.49 (15)	C2i—Fe1—C2	180.00 (3)
C8—C9—H9	119.3	C3i—Fe1—C4i	40.43 (6)
C10—C9—H9	119.3	C3—Fe1—C4i	139.57 (6)
C11—C10—C9	116.52 (14)	C2i—Fe1—C4i	68.31 (6)
C11—C10—C13	123.20 (14)	C2—Fe1—C4i	111.69 (6)
C9—C10—C13	120.29 (14)	C3i—Fe1—C4	139.57 (6)
C10—C11—C12	121.92 (15)	C3—Fe1—C4	40.43 (6)
C10—C11—H11	119.0	C2i—Fe1—C4	111.69 (6)
C12—C11—H11	119.0	C2—Fe1—C4	68.31 (6)
C7—C12—C11	121.24 (15)	C4i—Fe1—C4	180.000 (1)
C7—C12—H12	119.4	C3i—Fe1—C5i	67.80 (6)
C11—C12—H12	119.4	C3—Fe1—C5i	112.20 (6)
C10—C13—C15	109.28 (14)	C2i—Fe1—C5i	67.90 (6)
C10—C13—C14	109.49 (13)	C2—Fe1—C5i	112.10 (6)
C15—C13—C14	109.10 (15)	C4i—Fe1—C5i	40.43 (6)
C10—C13—C16	112.22 (14)	C4—Fe1—C5i	139.57 (6)
C15—C13—C16	108.29 (14)	C3i—Fe1—C5	112.20 (6)
C14—C13—C16	108.40 (14)	C3—Fe1—C5	67.80 (6)
C13—C14—H14A	109.5	C2i—Fe1—C5	112.10 (6)
C13—C14—H14B	109.5	C2—Fe1—C5	67.90 (6)
H14A—C14—H14B	109.5	C4i—Fe1—C5	139.57 (6)
C13—C14—H14C	109.5	C4—Fe1—C5	40.43 (6)
H14A—C14—H14C	109.5	C5i—Fe1—C5	180.00 (8)
H14B—C14—H14C	109.5	C3i—Fe1—C1i	68.37 (6)
C13—C15—H15A	109.5	C3—Fe1—C1i	111.63 (6)
C13—C15—H15B	109.5	C2i—Fe1—C1i	40.58 (6)
H15A—C15—H15B	109.5	C2—Fe1—C1i	139.42 (6)
C13—C15—H15C	109.5	C4i—Fe1—C1i	68.45 (6)
H15A—C15—H15C	109.5	C4—Fe1—C1i	111.55 (6)
H15B—C15—H15C	109.5	C5i—Fe1—C1i	40.49 (6)
C13—C16—H16A	109.5	C5—Fe1—C1i	139.51 (6)
C13—C16—H16B	109.5	C3i—Fe1—C1	111.63 (6)
H16A—C16—H16B	109.5	C3—Fe1—C1	68.37 (6)
C13—C16—H16C	109.5	C2i—Fe1—C1	139.42 (6)
H16A—C16—H16C	109.5	C2—Fe1—C1	40.58 (6)
H16B—C16—H16C	109.5	C4i—Fe1—C1	111.55 (6)
C22—C17—C18	117.55 (14)	C4—Fe1—C1	68.45 (6)
C22—C17—C6	121.06 (13)	C5i—Fe1—C1	139.51 (6)
C18—C17—C6	121.36 (14)	C5—Fe1—C1	40.49 (6)
C19—C18—C17	120.93 (15)	C1i—Fe1—C1	180.0
C19—C18—H18	119.5
C5—C1—C2—C3	0.02 (16)	C2—C3—Fe1—C5i	98.56 (10)
C6—C1—C2—C3	173.97 (14)	C4—C3—Fe1—C5	37.93 (9)
Fe1—C1—C2—C3	−59.37 (10)	C2—C3—Fe1—C5	−81.44 (10)
C5—C1—C2—Fe1	59.39 (10)	C4—C3—Fe1—C1i	−98.28 (9)
C6—C1—C2—Fe1	−126.66 (15)	C2—C3—Fe1—C1i	142.36 (9)
C1—C2—C3—C4	0.11 (16)	C4—C3—Fe1—C1	81.72 (9)
Fe1—C2—C3—C4	−59.84 (10)	C2—C3—Fe1—C1	−37.64 (9)
C1—C2—C3—Fe1	59.94 (10)	C3—C2—Fe1—C3i	180.000 (1)
C2—C3—C4—C5	−0.19 (17)	C1—C2—Fe1—C3i	60.78 (13)
Fe1—C3—C4—C5	−59.77 (10)	C1—C2—Fe1—C3	−119.22 (13)
C2—C3—C4—Fe1	59.58 (10)	C3—C2—Fe1—C4i	−142.53 (9)
C3—C4—C5—C1	0.20 (17)	C1—C2—Fe1—C4i	98.24 (9)
Fe1—C4—C5—C1	−59.20 (10)	C3—C2—Fe1—C4	37.47 (9)
C3—C4—C5—Fe1	59.40 (10)	C1—C2—Fe1—C4	−81.76 (9)
C2—C1—C5—C4	−0.14 (16)	C3—C2—Fe1—C5i	−98.81 (10)
C6—C1—C5—C4	−174.44 (13)	C1—C2—Fe1—C5i	141.97 (9)
Fe1—C1—C5—C4	58.98 (10)	C3—C2—Fe1—C5	81.19 (10)
C2—C1—C5—Fe1	−59.11 (10)	C1—C2—Fe1—C5	−38.03 (9)
C6—C1—C5—Fe1	126.59 (14)	C3—C2—Fe1—C1i	−60.78 (13)
C2—C1—C6—C17	53.1 (2)	C1—C2—Fe1—C1i	180.0
C5—C1—C6—C17	−133.93 (14)	C3—C2—Fe1—C1	119.22 (13)
Fe1—C1—C6—C17	−42.25 (19)	C3—C4—Fe1—C3i	180.000 (1)
C2—C1—C6—C7	−73.92 (18)	C5—C4—Fe1—C3i	−61.36 (13)
C5—C1—C6—C7	99.09 (17)	C5—C4—Fe1—C3	118.64 (13)
Fe1—C1—C6—C7	−169.23 (11)	C3—C4—Fe1—C2i	142.29 (9)
C1—C6—C7—C12	7.5 (2)	C5—C4—Fe1—C2i	−99.07 (10)
C17—C6—C7—C12	−120.27 (16)	C3—C4—Fe1—C2	−37.71 (9)
C1—C6—C7—C8	−171.08 (13)	C5—C4—Fe1—C2	80.93 (10)
C17—C6—C7—C8	61.17 (18)	C3—C4—Fe1—C5i	61.36 (13)
C12—C7—C8—C9	−1.4 (2)	C5—C4—Fe1—C5i	180.0
C6—C7—C8—C9	177.24 (14)	C3—C4—Fe1—C5	−118.64 (13)
C7—C8—C9—C10	1.1 (3)	C3—C4—Fe1—C1i	98.48 (10)
C8—C9—C10—C11	0.3 (2)	C5—C4—Fe1—C1i	−142.88 (9)
C8—C9—C10—C13	−179.54 (15)	C3—C4—Fe1—C1	−81.52 (10)
C9—C10—C11—C12	−1.3 (2)	C5—C4—Fe1—C1	37.12 (9)
C13—C10—C11—C12	178.54 (15)	C4—C5—Fe1—C3i	142.07 (9)
C8—C7—C12—C11	0.4 (2)	C1—C5—Fe1—C3i	−97.77 (10)
C6—C7—C12—C11	−178.15 (14)	C4—C5—Fe1—C3	−37.93 (9)
C10—C11—C12—C7	1.0 (3)	C1—C5—Fe1—C3	82.23 (10)
C11—C10—C13—C15	−119.29 (17)	C4—C5—Fe1—C2i	97.95 (10)
C9—C10—C13—C15	60.6 (2)	C1—C5—Fe1—C2i	−141.88 (9)
C11—C10—C13—C14	121.27 (17)	C4—C5—Fe1—C2	−82.05 (10)
C9—C10—C13—C14	−58.9 (2)	C1—C5—Fe1—C2	38.12 (9)
C11—C10—C13—C16	0.8 (2)	C4—C5—Fe1—C4i	180.0
C9—C10—C13—C16	−179.29 (14)	C1—C5—Fe1—C4i	−59.83 (13)
C1—C6—C17—C22	−73.47 (18)	C1—C5—Fe1—C4	120.17 (13)
C7—C6—C17—C22	53.85 (19)	C4—C5—Fe1—C1i	59.83 (13)
C1—C6—C17—C18	104.54 (16)	C1—C5—Fe1—C1i	180.0
C7—C6—C17—C18	−128.14 (15)	C4—C5—Fe1—C1	−120.17 (13)
C22—C17—C18—C19	2.8 (2)	C2—C1—Fe1—C3i	−142.24 (9)
C6—C17—C18—C19	−175.22 (14)	C5—C1—Fe1—C3i	99.29 (10)
C17—C18—C19—C20	−0.1 (2)	C6—C1—Fe1—C3i	−18.54 (16)
C18—C19—C20—C21	−2.1 (2)	C2—C1—Fe1—C3	37.76 (9)
C18—C19—C20—C23	177.73 (14)	C5—C1—Fe1—C3	−80.71 (10)
C19—C20—C21—C22	1.5 (2)	C6—C1—Fe1—C3	161.46 (16)
C23—C20—C21—C22	−178.33 (14)	C2—C1—Fe1—C2i	180.0
C18—C17—C22—C21	−3.5 (2)	C5—C1—Fe1—C2i	61.54 (12)
C6—C17—C22—C21	174.62 (14)	C6—C1—Fe1—C2i	−56.30 (17)
C20—C21—C22—C17	1.3 (2)	C5—C1—Fe1—C2	−118.46 (12)
C19—C20—C23—C26	−179.90 (14)	C6—C1—Fe1—C2	123.70 (17)
C21—C20—C23—C26	−0.1 (2)	C2—C1—Fe1—C4i	−98.61 (9)
C19—C20—C23—C24	−60.29 (19)	C5—C1—Fe1—C4i	142.93 (9)
C21—C20—C23—C24	119.54 (16)	C6—C1—Fe1—C4i	25.09 (16)
C19—C20—C23—C25	59.40 (19)	C2—C1—Fe1—C4	81.39 (9)
C21—C20—C23—C25	−120.76 (16)	C5—C1—Fe1—C4	−37.07 (9)
C4—C3—Fe1—C2i	−60.63 (13)	C6—C1—Fe1—C4	−154.91 (16)
C2—C3—Fe1—C2i	180.000 (1)	C2—C1—Fe1—C5i	−61.54 (12)
C4—C3—Fe1—C2	119.37 (13)	C5—C1—Fe1—C5i	180.0
C4—C3—Fe1—C4i	180.000 (1)	C6—C1—Fe1—C5i	62.17 (18)
C2—C3—Fe1—C4i	60.63 (13)	C2—C1—Fe1—C5	118.46 (12)
C2—C3—Fe1—C4	−119.37 (13)	C6—C1—Fe1—C5	−117.83 (18)
C4—C3—Fe1—C5i	−142.07 (9)