A ferrocenyl-substituted pseudo­titanocene complex

The title compound, (η⁵-cyclo­penta­dienyl)[(1,2,3,4,5-η)-4-ferro­cenyl-1,2,5,6-tetrakis­(tri­methyl­silyl)­cyclo­hexa-2,4-dien-1-yl]­titanium(II), [TiFe(C₅H₅)₂(C₂₃H₄₂Si₄)] or [Ti{η⁵-C₆H₂{Fe­(η⁵-C₅H₄)(η⁵-C₅H₅)}{Si(CH₃)₃}₄}(η⁵-C₅H₅)], possesses two directly linked metallocene units that subtend an angle of 52.9 (1)° (defined by the least-squares planes of the directly connected π-ligands) associated with the steric requirements of the bulky tri­methyl­silyl substituents. The cyclo­hexa­dienyl ligand adopts an envelope conformation; the perpendicular distance of its η⁵-plane to the Ti atom is 1.512 (1) Å.

S1. Comment

Multinuclear organometallic compounds having two or more metallic centres bonded by hydrocarbon ligands often exhibit interesting properties that arise from interactions of the metals. As the properties of such complexes change dramatically with the nature of the bridging ligand(s), any structural information is of importance since it provides a possibility of its comparison with indirect, e.g. spectral and electrochemical, data. There are numerous reports on the structures of such compounds available in the literature, including some titanocene–ferrocene complexes (Zakharov et al., 1979; Back et al., 1998; Štěpnička, Gyepes, Císařová, Varga et al., 1999; Štěpnička, Gyepes, Císařová, Kubišta et al., 1999). However, to the best of our knowledge, the title compound, (η⁵-cyclopentadienyl)[(1,2,3,4,5-η)-4-ferrocenyl-1,2,5,6-tetrakis(trimethyl- silyl)cyclohexa-2,4-dien-1-yl]titanium(II), (I), is the first example of a structurally characterized directly linked metallocene–pseudometallocene complex.

The molecular structure of the complex is depicted in Fig. 1 and selected geometric parameters are given in Table 1. The metallocene units are rotated by 52.9 (1)°, defined by the dihedral angle of the C1–C5 and C12–C16 least-squares ring planes. The ferrocenyl moiety is inclined towards the unsubstituted C3 atom. Such a deviation of the directly linked π-ligands from a coplanar arrangement is probably a result of steric constraints imposed by the bulky trimethylsilyl groups and prevents conjugation of the metallocene units. The Ti···Fe distance of 5.1562 (2) Å also excludes any direct interaction between the metal centres.

The ferrocene framework does not exhibit unexpected features: the Fe–centroid distances are 1.651 (1) (ring C12–C16) and 1.653 (1) Å (ring C17–C21), and the mean Fe—C and C—C distances are 2.047 (9) and 1.42 (1) Å, respectively. Ferrocene cyclopentadienyls are nearly parallel [dihedral angle of the least-squares cyclopentadienyl planes 1.7 (2)°] and adopt a conformation between staggered and eclipsed, as demonstrated by the torsion angle C12—Cg(C12–C16)—Cg(C17–C21)—C17 10.6 (2)°, where Cg represents a ring centroid.

Similarly, the η⁵-ligand planes within the pseudotitanocene moiety are tilted only slightly [dihedral angle 2.9 (2)°]. The mean Ti—C_Cp and C—C_Cp distances are 2.36 (2) and 1.406 (6) Å, respectively, while the corresponding Ti–centroid distance is 2.032 (1) Å. For the cyclohexadienyl ligand, the perpendicular distance of the Ti atom from the least-squares C1–C5 plane is 1.512 (1) Å, with the respective Ti—C distances varying in the range 2.064 (2)–2.230 (2) Å [cf. Ti—C6 2.412 (2) Å]. The η⁵-cyclohexadienyl moiety is slipped by as much as 0.51 Å, the corresponding angle between the Ti—Cp vector and the normal from the Ti atom to the least-squares plane being 19° (note that the pseudotitanocene cyclopentadienyl is slipped by only ca 0.06 Å).

The conformation of the cyclohexadienyl ring is best described as a regular envelope, with ring-puckering coordinates Q = 0.465 (3) Å, θ = 59.9 (2)° and φ = 299.1 (4)° (Cremer & Pople, 1975). All π-coordinated C atoms of the dienyl moiety (C1–C5) are sp² hybridized, nearly coplanar (sum of angles close to 360°) and their bonding distances are in the range 1.428 (3)–1.485 (3) Å. The sp³-hybridized C6 atom is disposed above the η⁵-plane by 0.643 (3) Å and its adjacent Si4 atom is bonded to the dienyl ring in an axial position (contrary to the structure predicted earlier by ZINDO calculations). The other atoms bonded to the plane of the π-donor are bent towards the Ti centre, their perpendicular distances from the least-squares plane being between 0.001 (3) for Si2 and 0.285 (4) Å for Si3.

The overall arrangement of the pseudotitanocene unit resembles the structure of an analogous compound bearing a trimethylsilyl substituent in place of the ferrocenyl group: cf. Ti—Cp 2.047 (9) Å, dihedral angle of the ligand planes 4.9° and cyclohexadienyl C₅-ring slippage of 0.51 Å (or 19°) but a slightly longer Ti—Cp distance of 1.582 (4) Å (Varga et al., 1996).

The molecule of the title complex displays planar chirality, but the compound crystallizes as a racemic mixture. No intermolecular distances shorter than van der Waals contacts were detected.

S2. Experimental

The complex was obtained as the only pseudotitanocene compound via a cyclohexadienyl ring-forming reaction from [(η⁵-C₅H₅)Ti(µ-η⁵:η⁵-Me₃SiC≡ CSiMe₃)₂Mg(η⁵-C₅H₅)] and ethynylferrocene as described previously by Štěpnička, Podlaha et al. (1999). Extremely air-sensitive brown prismatic crystals suitable for X-ray analysis were obtained by very slow evaporation of a hexane solution on a vacuum line. The selected crystal was inserted into a Lindemann glass capillary under a nitrogen atmosphere, fixed with wax and sealed (in a glove box).

S3. Refinement

The H atoms except H3 and H6, which were identified on difference electron-density maps and refined isotropically, were refined in fixed positions with C—H 0.96 (methyl) and 0.93 Å (aromatic) and assigned U_iso(H) = 1.2U_eq(C).

Computing details

Data collection: COLLECT (Nonius, 1997-2000); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO and SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 1999); software used to prepare material for publication: SHELXL97 and PLATON.

Figures

Fig. 1. A view of the title compound showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. Methyl and cyclopentadienyl H atoms have been omitted for clarity.

η(1–5)–4-ferrocenyl-1,2,5,6-tetrakis(trimethylsilyl)cyclohexa-2,4-dien-1-yl- (η⁵-cyclopentadienyl)titanium(II)

Crystal data

[TiFe(C5H5)2(C23H42Si4)]	Z = 2
Mr = 664.86	F(000) = 708
Triclinic, P1	Dx = 1.275 Mg m^−3
a = 10.1311 (3) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.2128 (4) Å	Cell parameters from 51022 reflections
c = 14.3972 (5) Å	θ = 1.0–27.5°
α = 82.423 (2)°	µ = 0.81 mm^−1
β = 80.855 (3)°	T = 150 K
γ = 82.344 (2)°	Prism, dark brown
V = 1731.85 (10) Å^3	0.33 × 0.25 × 0.18 mm

Data collection

Nonius KappaCCD diffractometer	6660 reflections with I > 2σ(I)
Radiation source: fine-focus sealed X-ray tube	Rint = 0.044
Graphite monochromator	θmax = 27.6°, θmin = 2.8°
Detector resolution: 0.110 pixels mm^-1	h = 0→13
(rotation scans: 343 images collected using ω scans, rotation per image 2°, 60 s exposure, crystal–to–detector distance 35 mm)	k = −15→15
66966 measured reflections	l = −18→18
7859 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.045	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.113	H atoms treated by a mixture of independent and constrained refinement
S = 1.07	w = 1/[σ^2(Fo^2) + (0.0392P)^2 + 2.8301P], where P = (Fo^2 + 2Fc^2)/3
7859 reflections	(Δ/σ)max < 0.001
360 parameters	Δρmax = 1.15 e Å^−3
0 restraints	Δρmin = −0.60 e Å^−3

Special details

Geometry. Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

- 8.6061 (0.0075) x - 0.0024 (0.0170) y + 5.5153 (0.0186) z = 2.5075 (0.0089) * 0.0001 (0.0017) C7 * -0.0008 (0.0017) C8 * 0.0012 (0.0017) C9 * -0.0011 (0.0017) C10 * 0.0006 (0.0017) C11 - 2.0320 (0.0013) Ti Rms deviation of fitted atoms = 0.0009

8.3702 (0.0058) x - 0.4640 (0.0124) y - 6.0217 (0.0139) z = 0.7186 (0.0056) A ngle to previous plane (with approximate e.s.d.) = 2.91 (0.17) * 0.0099 (0.0012) C1 * -0.0277 (0.0016) C2 * 0.0351 (0.0016) C3 * -0.0229 (0.0016) C4 * 0.0056 (0.0012) C5 0.6434 (0.0033) C6 - 1.5116 (0.0013) Ti Rms deviation of fitted atoms = 0.0230

4.1158 (0.0129) x + 8.2469 (0.0127) y - 7.4538 (0.0172) z = 1.5523 (0.0034) A ngle to previous plane (with approximate e.s.d.) = 52.90 (0.11) * -0.0046 (0.0016) C12 * 0.0042 (0.0017) C13 * -0.0021 (0.0018) C14 * -0.0008 (0.0018) C15 * 0.0033 (0.0018) C16 1.6505 (0.0013) Fe Rms deviation of fitted atoms = 0.0033

4.1596 (0.0140) x + 7.9663 (0.0142) y - 7.7511 (0.0184) z = 4.7940 (0.0039) A ngle to previous plane (with approximate e.s.d.) = 1.76 (0.24) * 0.0004 (0.0018) C17 * 0.0002 (0.0018) C18 * -0.0007 (0.0019) C19 * 0.0009 (0.0020) C20 * -0.0008 (0.0019) C21 - 1.6529 (0.0013) Fe Rms deviation of fitted atoms = 0.0007

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
Fe	0.14511 (4)	0.28230 (3)	−0.03723 (3)	0.02379 (10)
Ti	0.15141 (4)	0.25389 (4)	0.32259 (3)	0.01988 (11)
Si1	0.23909 (7)	−0.01216 (5)	0.25845 (5)	0.02212 (15)
Si2	0.29817 (7)	0.52845 (6)	0.25463 (5)	0.02294 (16)
Si3	0.39285 (7)	0.29434 (6)	0.45134 (5)	0.02224 (15)
Si4	0.54741 (7)	0.17441 (6)	0.20397 (5)	0.02360 (16)
C1	0.2684 (2)	0.13677 (19)	0.24157 (17)	0.0182 (5)
C2	0.2206 (2)	0.22693 (19)	0.17436 (17)	0.0182 (5)
C3	0.2414 (2)	0.3379 (2)	0.18442 (17)	0.0187 (5)
C4	0.2923 (2)	0.37379 (19)	0.26202 (17)	0.0191 (5)
C5	0.3424 (2)	0.28751 (19)	0.33351 (17)	0.0190 (5)
C6	0.3818 (2)	0.1719 (2)	0.29128 (18)	0.0199 (5)
C7	−0.0747 (3)	0.3415 (3)	0.3383 (2)	0.0356 (7)
H7	−0.1027	0.3995	0.2946	0.043*
C8	−0.0220 (3)	0.3525 (3)	0.4204 (2)	0.0344 (7)
H8	−0.0089	0.4190	0.4406	0.041*
C9	0.0078 (3)	0.2452 (3)	0.4671 (2)	0.0354 (7)
H9	0.0437	0.2282	0.5236	0.042*
C10	−0.0269 (3)	0.1681 (2)	0.4126 (2)	0.0343 (7)
H10	−0.0176	0.0911	0.4267	0.041*
C11	−0.0779 (3)	0.2282 (3)	0.3333 (2)	0.0336 (6)
H11	−0.1085	0.1980	0.2858	0.040*
C12	0.1433 (2)	0.2066 (2)	0.10011 (18)	0.0214 (5)
C13	0.0120 (3)	0.2590 (2)	0.08440 (19)	0.0264 (6)
H13	−0.0381	0.3148	0.1174	0.032*
C14	−0.0286 (3)	0.2114 (3)	0.0101 (2)	0.0352 (7)
H14	−0.1100	0.2301	−0.0135	0.042*
C15	0.0765 (3)	0.1303 (2)	−0.0217 (2)	0.0376 (7)
H15	0.0763	0.0866	−0.0699	0.045*
C16	0.1827 (3)	0.1275 (2)	0.0332 (2)	0.0286 (6)
H16	0.2639	0.0818	0.0266	0.034*
C17	0.2955 (3)	0.3838 (2)	−0.0656 (2)	0.0335 (6)
H17	0.3581	0.3895	−0.0262	0.040*
C18	0.1694 (3)	0.4482 (2)	−0.0670 (2)	0.0322 (6)
H18	0.1344	0.5038	−0.0286	0.039*
C19	0.1053 (3)	0.4136 (3)	−0.1368 (2)	0.0379 (7)
H19	0.0209	0.4425	−0.1522	0.045*
C20	0.1917 (4)	0.3277 (3)	−0.1790 (2)	0.0438 (8)
H20	0.1746	0.2900	−0.2271	0.053*
C21	0.3100 (3)	0.3090 (3)	−0.1344 (2)	0.0435 (8)
H21	0.3838	0.2568	−0.1483	0.052*
C22	0.2621 (3)	−0.0696 (2)	0.3831 (2)	0.0322 (6)
H22A	0.2474	−0.1466	0.3933	0.039*
H22B	0.1987	−0.0289	0.4266	0.039*
H22C	0.3519	−0.0627	0.3931	0.039*
C23	0.0671 (3)	−0.0350 (2)	0.2381 (2)	0.0354 (7)
H23A	0.0584	−0.1131	0.2479	0.042*
H23B	0.0544	−0.0063	0.1744	0.042*
H23C	0.0004	0.0029	0.2817	0.042*
C24	0.3647 (3)	−0.1026 (2)	0.1832 (2)	0.0393 (7)
H24A	0.3433	−0.1779	0.1957	0.047*
H24B	0.4533	−0.0997	0.1979	0.047*
H24C	0.3619	−0.0766	0.1176	0.047*
C25	0.1421 (3)	0.6045 (2)	0.3159 (2)	0.0361 (7)
H25A	0.0648	0.5879	0.2918	0.043*
H25B	0.1478	0.6831	0.3044	0.043*
H25C	0.1338	0.5815	0.3827	0.043*
C26	0.3169 (3)	0.5852 (2)	0.1261 (2)	0.0321 (6)
H26A	0.2425	0.5689	0.0985	0.038*
H26B	0.3994	0.5515	0.0937	0.038*
H26C	0.3184	0.6643	0.1203	0.038*
C27	0.4458 (3)	0.5632 (2)	0.3035 (2)	0.0303 (6)
H27A	0.5270	0.5251	0.2731	0.036*
H27B	0.4361	0.5404	0.3704	0.036*
H27C	0.4501	0.6420	0.2920	0.036*
C28	0.3690 (3)	0.1573 (2)	0.5252 (2)	0.0342 (6)
H28A	0.3944	0.1588	0.5864	0.041*
H28B	0.4241	0.0985	0.4944	0.041*
H28C	0.2762	0.1446	0.5323	0.041*
C29	0.5747 (3)	0.3108 (2)	0.4495 (2)	0.0325 (6)
H29A	0.5915	0.3135	0.5129	0.039*
H29B	0.5957	0.3784	0.4112	0.039*
H29C	0.6300	0.2488	0.4235	0.039*
C30	0.2851 (3)	0.4033 (2)	0.5190 (2)	0.0307 (6)
H30A	0.3157	0.4030	0.5789	0.037*
H30B	0.1932	0.3876	0.5295	0.037*
H30C	0.2914	0.4751	0.4833	0.037*
C31	0.6677 (3)	0.0615 (3)	0.2554 (2)	0.0376 (7)
H31A	0.6303	−0.0079	0.2633	0.045*
H31B	0.6830	0.0786	0.3157	0.045*
H31C	0.7514	0.0560	0.2134	0.045*
C32	0.5340 (3)	0.1444 (3)	0.0821 (2)	0.0353 (7)
H32A	0.4965	0.0755	0.0858	0.042*
H32B	0.6219	0.1388	0.0453	0.042*
H32C	0.4768	0.2034	0.0527	0.042*
C33	0.6208 (3)	0.3087 (2)	0.1885 (2)	0.0331 (6)
H33A	0.6301	0.3284	0.2494	0.040*
H33B	0.5625	0.3658	0.1579	0.040*
H33C	0.7076	0.3012	0.1504	0.040*
H3	0.198 (3)	0.397 (2)	0.141 (2)	0.021 (7)*
H6	0.399 (3)	0.112 (2)	0.341 (2)	0.023 (7)*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Fe	0.02389 (19)	0.02537 (19)	0.0222 (2)	−0.00249 (14)	−0.00561 (15)	−0.00053 (15)
Ti	0.0156 (2)	0.0209 (2)	0.0224 (2)	−0.00196 (16)	−0.00007 (17)	−0.00297 (17)
Si1	0.0231 (3)	0.0164 (3)	0.0273 (4)	−0.0030 (3)	−0.0055 (3)	−0.0012 (3)
Si2	0.0276 (4)	0.0172 (3)	0.0252 (4)	−0.0037 (3)	−0.0057 (3)	−0.0029 (3)
Si3	0.0227 (3)	0.0234 (3)	0.0215 (3)	−0.0023 (3)	−0.0056 (3)	−0.0034 (3)
Si4	0.0169 (3)	0.0257 (4)	0.0273 (4)	−0.0010 (3)	−0.0012 (3)	−0.0038 (3)
C1	0.0166 (11)	0.0165 (11)	0.0212 (12)	−0.0013 (9)	−0.0036 (9)	−0.0007 (9)
C2	0.0154 (11)	0.0197 (11)	0.0196 (12)	−0.0013 (9)	−0.0021 (9)	−0.0036 (9)
C3	0.0174 (11)	0.0188 (11)	0.0191 (12)	−0.0007 (9)	−0.0017 (9)	−0.0013 (9)
C4	0.0167 (11)	0.0184 (11)	0.0223 (12)	−0.0035 (9)	−0.0016 (9)	−0.0030 (9)
C5	0.0167 (11)	0.0175 (11)	0.0229 (12)	−0.0015 (9)	−0.0038 (9)	−0.0027 (9)
C6	0.0180 (11)	0.0189 (11)	0.0227 (12)	−0.0012 (9)	−0.0037 (9)	−0.0014 (10)
C7	0.0181 (13)	0.0386 (16)	0.0450 (18)	0.0043 (11)	0.0006 (12)	0.0001 (13)
C8	0.0246 (14)	0.0362 (15)	0.0398 (17)	−0.0007 (11)	0.0079 (12)	−0.0131 (13)
C9	0.0277 (14)	0.0494 (18)	0.0255 (14)	−0.0027 (13)	0.0065 (11)	−0.0051 (13)
C10	0.0227 (13)	0.0344 (15)	0.0404 (17)	−0.0065 (11)	0.0103 (12)	0.0006 (13)
C11	0.0178 (12)	0.0414 (16)	0.0406 (17)	−0.0057 (11)	0.0011 (11)	−0.0056 (13)
C12	0.0226 (12)	0.0204 (11)	0.0223 (12)	−0.0056 (9)	−0.0062 (10)	0.0004 (10)
C13	0.0214 (12)	0.0319 (14)	0.0261 (14)	−0.0077 (10)	−0.0043 (10)	0.0019 (11)
C14	0.0290 (14)	0.0441 (17)	0.0367 (16)	−0.0163 (13)	−0.0159 (12)	0.0062 (13)
C15	0.0541 (19)	0.0327 (15)	0.0328 (16)	−0.0160 (14)	−0.0183 (14)	−0.0028 (12)
C16	0.0368 (15)	0.0218 (12)	0.0292 (14)	−0.0016 (11)	−0.0113 (12)	−0.0040 (11)
C17	0.0272 (14)	0.0364 (15)	0.0352 (16)	−0.0083 (12)	−0.0029 (12)	0.0042 (12)
C18	0.0345 (15)	0.0258 (13)	0.0321 (15)	−0.0034 (11)	0.0003 (12)	0.0056 (11)
C19	0.0388 (16)	0.0417 (17)	0.0299 (16)	−0.0040 (13)	−0.0098 (13)	0.0133 (13)
C20	0.059 (2)	0.0508 (19)	0.0208 (15)	−0.0106 (16)	−0.0022 (14)	−0.0012 (13)
C21	0.0334 (16)	0.0454 (18)	0.0429 (19)	0.0009 (14)	0.0106 (14)	0.0031 (15)
C22	0.0337 (15)	0.0275 (14)	0.0346 (16)	−0.0082 (11)	−0.0071 (12)	0.0069 (12)
C23	0.0342 (15)	0.0271 (14)	0.0490 (19)	−0.0118 (12)	−0.0162 (14)	0.0006 (13)
C24	0.0475 (18)	0.0229 (14)	0.0454 (18)	0.0006 (12)	−0.0014 (15)	−0.0076 (13)
C25	0.0404 (16)	0.0259 (14)	0.0412 (17)	0.0039 (12)	−0.0048 (13)	−0.0097 (12)
C26	0.0442 (17)	0.0223 (13)	0.0319 (15)	−0.0106 (12)	−0.0107 (13)	0.0019 (11)
C27	0.0382 (15)	0.0220 (13)	0.0335 (15)	−0.0101 (11)	−0.0104 (12)	−0.0007 (11)
C28	0.0443 (17)	0.0334 (15)	0.0244 (14)	−0.0037 (13)	−0.0090 (12)	0.0029 (12)
C29	0.0274 (14)	0.0375 (15)	0.0358 (16)	−0.0039 (12)	−0.0124 (12)	−0.0059 (13)
C30	0.0335 (15)	0.0324 (14)	0.0279 (14)	−0.0028 (11)	−0.0048 (12)	−0.0097 (12)
C31	0.0246 (14)	0.0385 (16)	0.0470 (19)	0.0038 (12)	−0.0040 (13)	−0.0042 (14)
C32	0.0280 (14)	0.0452 (17)	0.0312 (15)	−0.0054 (12)	0.0049 (12)	−0.0090 (13)
C33	0.0229 (13)	0.0360 (15)	0.0394 (17)	−0.0094 (11)	0.0022 (12)	−0.0030 (13)

Geometric parameters (Å, º)

Fe—C21	2.034 (3)	C12—C16	1.429 (4)
Fe—C20	2.040 (3)	C12—C13	1.435 (4)
Fe—C15	2.040 (3)	C13—C14	1.422 (4)
Fe—C16	2.043 (3)	C13—H13	0.9300
Fe—C14	2.045 (3)	C14—C15	1.416 (5)
Fe—C13	2.046 (3)	C14—H14	0.9300
Fe—C19	2.048 (3)	C15—C16	1.428 (4)
Fe—C17	2.048 (3)	C15—H15	0.9300
Fe—C18	2.054 (3)	C16—H16	0.9300
Fe—C12	2.068 (2)	C17—C18	1.410 (4)
Ti—C1	2.088 (2)	C17—C21	1.413 (5)
Ti—C2	2.191 (2)	C17—H17	0.9300
Ti—C3	2.230 (2)	C18—C19	1.415 (4)
Ti—C4	2.183 (2)	C18—H18	0.9300
Ti—C6	2.412 (2)	C19—C20	1.411 (5)
Ti—C5	2.064 (2)	C19—H19	0.9300
Ti—C7	2.385 (3)	C20—C21	1.425 (5)
Ti—C8	2.370 (3)	C20—H20	0.9300
Ti—C9	2.341 (3)	C21—H21	0.9300
Ti—C10	2.333 (3)	C22—H22A	0.9600
Ti—C11	2.363 (3)	C22—H22B	0.9600
Si1—C1	1.860 (2)	C22—H22C	0.9600
Si1—C23	1.874 (3)	C23—H23A	0.9600
Si1—C24	1.875 (3)	C23—H23B	0.9600
Si1—C22	1.877 (3)	C23—H23C	0.9600
Si2—C27	1.869 (3)	C24—H24A	0.9600
Si2—C25	1.877 (3)	C24—H24B	0.9600
Si2—C26	1.878 (3)	C24—H24C	0.9600
Si2—C4	1.886 (2)	C25—H25A	0.9600
Si3—C5	1.863 (3)	C25—H25B	0.9600
Si3—C29	1.875 (3)	C25—H25C	0.9600
Si3—C30	1.879 (3)	C26—H26A	0.9600
Si3—C28	1.883 (3)	C26—H26B	0.9600
Si4—C33	1.863 (3)	C26—H26C	0.9600
Si4—C32	1.868 (3)	C27—H27A	0.9600
Si4—C31	1.872 (3)	C27—H27B	0.9600
Si4—C6	1.931 (3)	C27—H27C	0.9600
C1—C2	1.452 (3)	C28—H28A	0.9600
C1—C6	1.578 (3)	C28—H28B	0.9600
C2—C3	1.428 (3)	C28—H28C	0.9600
C2—C12	1.485 (3)	C29—H29A	0.9600
C3—C4	1.442 (3)	C29—H29B	0.9600
C3—H3	1.00 (3)	C29—H29C	0.9600
C4—C5	1.471 (3)	C30—H30A	0.9600
C5—C6	1.588 (3)	C30—H30B	0.9600
C6—H6	0.97 (3)	C30—H30C	0.9600
C7—C11	1.400 (4)	C31—H31A	0.9600
C7—C8	1.400 (5)	C31—H31B	0.9600
C7—H7	0.9300	C31—H31C	0.9600
C8—C9	1.410 (4)	C32—H32A	0.9600
C8—H8	0.9300	C32—H32B	0.9600
C9—C10	1.413 (4)	C32—H32C	0.9600
C9—H9	0.9300	C33—H33A	0.9600
C10—C11	1.405 (4)	C33—H33B	0.9600
C10—H10	0.9300	C33—H33C	0.9600
C11—H11	0.9300
C21—Fe—C20	40.96 (14)	Ti—C6—H6	109.3 (17)
C21—Fe—C15	118.13 (14)	C11—C7—C8	108.3 (3)
C20—Fe—C15	107.08 (13)	C11—C7—Ti	72.02 (16)
C21—Fe—C16	107.18 (13)	C8—C7—Ti	72.28 (16)
C20—Fe—C16	126.75 (13)	C11—C7—H7	125.8
C15—Fe—C16	40.93 (11)	C8—C7—H7	125.8
C21—Fe—C14	152.31 (14)	Ti—C7—H7	121.6
C20—Fe—C14	118.33 (13)	C7—C8—C9	108.1 (3)
C15—Fe—C14	40.57 (13)	C7—C8—Ti	73.46 (16)
C16—Fe—C14	68.52 (12)	C9—C8—Ti	71.46 (16)
C21—Fe—C13	165.30 (13)	C7—C8—H8	126.0
C20—Fe—C13	152.82 (13)	C9—C8—H8	126.0
C15—Fe—C13	68.38 (12)	Ti—C8—H8	120.9
C16—Fe—C13	68.38 (11)	C8—C9—C10	107.6 (3)
C14—Fe—C13	40.68 (11)	C8—C9—Ti	73.71 (16)
C21—Fe—C19	68.20 (13)	C10—C9—Ti	72.09 (16)
C20—Fe—C19	40.39 (14)	C8—C9—H9	126.2
C15—Fe—C19	127.13 (13)	C10—C9—H9	126.2
C16—Fe—C19	164.74 (12)	Ti—C9—H9	119.8
C14—Fe—C19	108.37 (12)	C11—C10—C9	107.9 (3)
C13—Fe—C19	119.71 (12)	C11—C10—Ti	73.79 (16)
C21—Fe—C17	40.49 (14)	C9—C10—Ti	72.70 (16)
C20—Fe—C17	68.36 (13)	C11—C10—H10	126.1
C15—Fe—C17	152.49 (13)	C9—C10—H10	126.1
C16—Fe—C17	118.70 (12)	Ti—C10—H10	119.3
C14—Fe—C17	165.90 (13)	C7—C11—C10	108.1 (3)
C13—Fe—C17	128.15 (12)	C7—C11—Ti	73.69 (16)
C19—Fe—C17	67.95 (12)	C10—C11—Ti	71.40 (15)
C21—Fe—C18	67.89 (13)	C7—C11—H11	125.9
C20—Fe—C18	67.99 (13)	C10—C11—H11	125.9
C15—Fe—C18	165.35 (12)	Ti—C11—H11	120.7
C16—Fe—C18	153.00 (11)	C16—C12—C13	106.7 (2)
C14—Fe—C18	128.35 (12)	C16—C12—C2	126.6 (2)
C13—Fe—C18	109.28 (12)	C13—C12—C2	126.7 (2)
C19—Fe—C18	40.36 (12)	C16—C12—Fe	68.74 (15)
C17—Fe—C18	40.20 (11)	C13—C12—Fe	68.77 (14)
C21—Fe—C12	126.84 (12)	C2—C12—Fe	129.45 (17)
C20—Fe—C12	164.72 (13)	C14—C13—C12	108.7 (2)
C15—Fe—C12	68.75 (11)	C14—C13—Fe	69.64 (16)
C16—Fe—C12	40.68 (10)	C12—C13—Fe	70.40 (15)
C14—Fe—C12	68.73 (11)	C14—C13—H13	125.6
C13—Fe—C12	40.83 (10)	C12—C13—H13	125.6
C19—Fe—C12	153.60 (12)	Fe—C13—H13	125.9
C17—Fe—C12	108.13 (11)	C15—C14—C13	108.0 (2)
C18—Fe—C12	119.64 (11)	C15—C14—Fe	69.53 (17)
C5—Ti—C1	79.35 (9)	C13—C14—Fe	69.68 (15)
C5—Ti—C4	40.40 (9)	C15—C14—H14	126.0
C1—Ti—C4	88.94 (9)	C13—C14—H14	126.0
C5—Ti—C2	89.02 (9)	Fe—C14—H14	126.4
C1—Ti—C2	39.59 (9)	C14—C15—C16	108.0 (3)
C4—Ti—C2	71.76 (9)	C14—C15—Fe	69.90 (16)
C5—Ti—C3	70.83 (9)	C16—C15—Fe	69.63 (16)
C1—Ti—C3	69.96 (9)	C14—C15—H15	126.0
C4—Ti—C3	38.11 (9)	C16—C15—H15	126.0
C2—Ti—C3	37.67 (9)	Fe—C15—H15	126.1
C5—Ti—C10	139.98 (11)	C15—C16—C12	108.6 (3)
C1—Ti—C10	107.67 (10)	C15—C16—Fe	69.44 (16)
C4—Ti—C10	163.35 (10)	C12—C16—Fe	70.59 (14)
C2—Ti—C10	121.99 (10)	C15—C16—H16	125.7
C3—Ti—C10	149.11 (10)	C12—C16—H16	125.7
C5—Ti—C9	113.47 (11)	Fe—C16—H16	125.8
C1—Ti—C9	134.96 (10)	C18—C17—C21	108.0 (3)
C4—Ti—C9	129.69 (10)	C18—C17—Fe	70.13 (16)
C2—Ti—C9	156.57 (10)	C21—C17—Fe	69.22 (17)
C3—Ti—C9	154.60 (10)	C18—C17—H17	126.0
C10—Ti—C9	35.21 (11)	C21—C17—H17	126.0
C5—Ti—C11	170.73 (10)	Fe—C17—H17	126.2
C1—Ti—C11	109.08 (10)	C17—C18—C19	108.3 (3)
C4—Ti—C11	140.83 (10)	C17—C18—Fe	69.68 (16)
C2—Ti—C11	99.95 (10)	C19—C18—Fe	69.59 (17)
C3—Ti—C11	115.19 (10)	C17—C18—H18	125.9
C10—Ti—C11	34.81 (11)	C19—C18—H18	125.9
C9—Ti—C11	57.94 (11)	Fe—C18—H18	126.4
C5—Ti—C8	113.84 (10)	C20—C19—C18	108.2 (3)
C1—Ti—C8	165.11 (10)	C20—C19—Fe	69.49 (17)
C4—Ti—C8	105.58 (10)	C18—C19—Fe	70.05 (16)
C2—Ti—C8	141.97 (10)	C20—C19—H19	125.9
C3—Ti—C8	119.81 (10)	C18—C19—H19	125.9
C10—Ti—C8	57.93 (10)	Fe—C19—H19	126.1
C9—Ti—C8	34.83 (11)	C19—C20—C21	107.6 (3)
C11—Ti—C8	57.32 (11)	C19—C20—Fe	70.13 (17)
C5—Ti—C7	139.78 (10)	C21—C20—Fe	69.31 (18)
C1—Ti—C7	137.03 (10)	C19—C20—H20	126.2
C4—Ti—C7	110.87 (10)	C21—C20—H20	126.2
C2—Ti—C7	109.55 (10)	Fe—C20—H20	125.9
C3—Ti—C7	102.14 (10)	C17—C21—C20	108.0 (3)
C10—Ti—C7	57.54 (10)	C17—C21—Fe	70.29 (17)
C9—Ti—C7	57.54 (11)	C20—C21—Fe	69.73 (18)
C11—Ti—C7	34.29 (10)	C17—C21—H21	126.0
C8—Ti—C7	34.26 (11)	C20—C21—H21	126.0
C5—Ti—C6	40.64 (9)	Fe—C21—H21	125.6
C1—Ti—C6	40.25 (8)	Si1—C22—H22A	109.5
C4—Ti—C6	66.19 (8)	Si1—C22—H22B	109.5
C2—Ti—C6	65.51 (9)	H22A—C22—H22B	109.5
C3—Ti—C6	72.76 (9)	Si1—C22—H22C	109.5
C10—Ti—C6	126.33 (9)	H22A—C22—H22C	109.5
C9—Ti—C6	127.78 (10)	H22B—C22—H22C	109.5
C11—Ti—C6	146.32 (10)	Si1—C23—H23A	109.5
C8—Ti—C6	149.83 (10)	Si1—C23—H23B	109.5
C7—Ti—C6	174.67 (10)	H23A—C23—H23B	109.5
C1—Si1—C23	113.57 (12)	Si1—C23—H23C	109.5
C1—Si1—C24	114.17 (13)	H23A—C23—H23C	109.5
C23—Si1—C24	107.57 (15)	H23B—C23—H23C	109.5
C1—Si1—C22	108.11 (12)	Si1—C24—H24A	109.5
C23—Si1—C22	108.70 (14)	Si1—C24—H24B	109.5
C24—Si1—C22	104.20 (14)	H24A—C24—H24B	109.5
C27—Si2—C25	108.04 (14)	Si1—C24—H24C	109.5
C27—Si2—C26	107.10 (13)	H24A—C24—H24C	109.5
C25—Si2—C26	107.59 (14)	H24B—C24—H24C	109.5
C27—Si2—C4	112.44 (12)	Si2—C25—H25A	109.5
C25—Si2—C4	113.62 (12)	Si2—C25—H25B	109.5
C26—Si2—C4	107.74 (12)	H25A—C25—H25B	109.5
C5—Si3—C29	115.20 (12)	Si2—C25—H25C	109.5
C5—Si3—C30	113.19 (12)	H25A—C25—H25C	109.5
C29—Si3—C30	109.24 (13)	H25B—C25—H25C	109.5
C5—Si3—C28	107.95 (12)	Si2—C26—H26A	109.5
C29—Si3—C28	104.44 (14)	Si2—C26—H26B	109.5
C30—Si3—C28	106.04 (13)	H26A—C26—H26B	109.5
C33—Si4—C32	105.85 (14)	Si2—C26—H26C	109.5
C33—Si4—C31	109.20 (14)	H26A—C26—H26C	109.5
C32—Si4—C31	107.73 (15)	H26B—C26—H26C	109.5
C33—Si4—C6	114.06 (12)	Si2—C27—H27A	109.5
C32—Si4—C6	114.51 (12)	Si2—C27—H27B	109.5
C31—Si4—C6	105.29 (13)	H27A—C27—H27B	109.5
C2—C1—C6	110.94 (19)	Si2—C27—H27C	109.5
C2—C1—Si1	129.70 (18)	H27A—C27—H27C	109.5
C6—C1—Si1	118.26 (16)	H27B—C27—H27C	109.5
C2—C1—Ti	74.04 (13)	Si3—C28—H28A	109.5
C6—C1—Ti	80.98 (13)	Si3—C28—H28B	109.5
Si1—C1—Ti	122.21 (12)	H28A—C28—H28B	109.5
C1—C2—C3	118.7 (2)	Si3—C28—H28C	109.5
C3—C2—C12	119.8 (2)	H28A—C28—H28C	109.5
C1—C2—C12	121.3 (2)	H28B—C28—H28C	109.5
C3—C2—Ti	72.66 (14)	Si3—C29—H29A	109.5
C1—C2—Ti	66.37 (13)	Si3—C29—H29B	109.5
C12—C2—Ti	129.93 (17)	H29A—C29—H29B	109.5
C2—C3—C4	126.6 (2)	Si3—C29—H29C	109.5
C2—C3—Ti	69.68 (13)	H29A—C29—H29C	109.5
C4—C3—Ti	69.18 (13)	H29B—C29—H29C	109.5
C2—C3—H3	115.2 (16)	Si3—C30—H30A	109.5
C4—C3—H3	116.7 (16)	Si3—C30—H30B	109.5
Ti—C3—H3	128.6 (16)	H30A—C30—H30B	109.5
C3—C4—C5	117.7 (2)	Si3—C30—H30C	109.5
C3—C4—Si2	114.96 (17)	H30A—C30—H30C	109.5
C5—C4—Si2	127.22 (18)	H30B—C30—H30C	109.5
C3—C4—Ti	72.71 (13)	Si4—C31—H31A	109.5
C5—C4—Ti	65.45 (12)	Si4—C31—H31B	109.5
Si2—C4—Ti	137.65 (13)	H31A—C31—H31B	109.5
C4—C5—C6	110.6 (2)	Si4—C31—H31C	109.5
C4—C5—Si3	132.37 (18)	H31A—C31—H31C	109.5
C6—C5—Si3	116.08 (16)	H31B—C31—H31C	109.5
C4—C5—Ti	74.15 (13)	Si4—C32—H32A	109.5
C6—C5—Ti	81.51 (13)	Si4—C32—H32B	109.5
Si3—C5—Ti	120.77 (12)	H32A—C32—H32B	109.5
C1—C6—C5	113.72 (19)	Si4—C32—H32C	109.5
C1—C6—Si4	109.86 (16)	H32A—C32—H32C	109.5
C5—C6—Si4	110.33 (16)	H32B—C32—H32C	109.5
C1—C6—Ti	58.77 (11)	Si4—C33—H33A	109.5
C5—C6—Ti	57.85 (11)	Si4—C33—H33B	109.5
Si4—C6—Ti	144.99 (13)	H33A—C33—H33B	109.5
C1—C6—H6	105.6 (17)	Si4—C33—H33C	109.5
C5—C6—H6	111.3 (17)	H33A—C33—H33C	109.5
Si4—C6—H6	105.7 (17)	H33B—C33—H33C	109.5
C23—Si1—C1—C2	−35.5 (3)	C7—C8—C9—Ti	64.83 (19)
C24—Si1—C1—C2	88.3 (3)	C5—Ti—C9—C8	98.49 (19)
C22—Si1—C1—C2	−156.2 (2)	C1—Ti—C9—C8	−162.96 (17)
C23—Si1—C1—C6	157.63 (19)	C4—Ti—C9—C8	54.4 (2)
C24—Si1—C1—C6	−78.5 (2)	C2—Ti—C9—C8	−98.7 (3)
C22—Si1—C1—C6	36.9 (2)	C3—Ti—C9—C8	3.9 (3)
C23—Si1—C1—Ti	60.25 (19)	C10—Ti—C9—C8	−115.1 (3)
C24—Si1—C1—Ti	−175.91 (15)	C11—Ti—C9—C8	−77.57 (19)
C22—Si1—C1—Ti	−60.47 (17)	C7—Ti—C9—C8	−36.78 (18)
C5—Ti—C1—C2	−101.55 (14)	C6—Ti—C9—C8	143.25 (17)
C4—Ti—C1—C2	−62.04 (14)	C5—Ti—C9—C10	−146.39 (17)
C3—Ti—C1—C2	−28.23 (13)	C1—Ti—C9—C10	−47.8 (2)
C10—Ti—C1—C2	119.17 (14)	C4—Ti—C9—C10	169.55 (16)
C9—Ti—C1—C2	145.82 (15)	C2—Ti—C9—C10	16.4 (4)
C11—Ti—C1—C2	82.45 (15)	C3—Ti—C9—C10	119.0 (2)
C8—Ti—C1—C2	105.2 (4)	C11—Ti—C9—C10	37.56 (17)
C7—Ti—C1—C2	58.15 (19)	C8—Ti—C9—C10	115.1 (3)
C6—Ti—C1—C2	−114.95 (18)	C7—Ti—C9—C10	78.35 (19)
C5—Ti—C1—C6	13.40 (13)	C6—Ti—C9—C10	−101.63 (19)
C4—Ti—C1—C6	52.91 (13)	C8—C9—C10—C11	−0.2 (3)
C2—Ti—C1—C6	114.95 (18)	Ti—C9—C10—C11	−65.93 (19)
C3—Ti—C1—C6	86.72 (14)	C8—C9—C10—Ti	65.71 (19)
C10—Ti—C1—C6	−125.88 (14)	C5—Ti—C10—C11	167.34 (17)
C9—Ti—C1—C6	−99.23 (17)	C1—Ti—C10—C11	−98.21 (18)
C11—Ti—C1—C6	−162.59 (13)	C4—Ti—C10—C11	86.0 (4)
C8—Ti—C1—C6	−139.9 (4)	C2—Ti—C10—C11	−57.2 (2)
C7—Ti—C1—C6	173.10 (15)	C3—Ti—C10—C11	−17.9 (3)
C5—Ti—C1—Si1	131.21 (15)	C9—Ti—C10—C11	115.2 (3)
C4—Ti—C1—Si1	170.72 (14)	C8—Ti—C10—C11	77.59 (19)
C2—Ti—C1—Si1	−127.2 (2)	C7—Ti—C10—C11	36.82 (18)
C3—Ti—C1—Si1	−155.47 (16)	C6—Ti—C10—C11	−138.74 (17)
C10—Ti—C1—Si1	−8.06 (17)	C5—Ti—C10—C9	52.2 (2)
C9—Ti—C1—Si1	18.6 (2)	C1—Ti—C10—C9	146.60 (17)
C11—Ti—C1—Si1	−44.78 (17)	C4—Ti—C10—C9	−29.2 (4)
C8—Ti—C1—Si1	−22.0 (5)	C2—Ti—C10—C9	−172.39 (17)
C7—Ti—C1—Si1	−69.1 (2)	C3—Ti—C10—C9	−133.1 (2)
C6—Ti—C1—Si1	117.8 (2)	C11—Ti—C10—C9	−115.2 (3)
C6—C1—C2—C3	−21.2 (3)	C8—Ti—C10—C9	−37.60 (18)
Si1—C1—C2—C3	171.23 (18)	C7—Ti—C10—C9	−78.4 (2)
Ti—C1—C2—C3	52.3 (2)	C6—Ti—C10—C9	106.08 (19)
C6—C1—C2—C12	162.9 (2)	C8—C7—C11—C10	0.0 (3)
Si1—C1—C2—C12	−4.7 (3)	Ti—C7—C11—C10	63.55 (19)
Ti—C1—C2—C12	−123.6 (2)	C8—C7—C11—Ti	−63.60 (19)
C6—C1—C2—Ti	−73.50 (16)	C9—C10—C11—C7	0.2 (3)
Si1—C1—C2—Ti	118.9 (2)	Ti—C10—C11—C7	−65.04 (19)
C5—Ti—C2—C3	−58.98 (14)	C9—C10—C11—Ti	65.21 (19)
C1—Ti—C2—C3	−133.3 (2)	C5—Ti—C11—C7	55.1 (7)
C4—Ti—C2—C3	−21.76 (13)	C1—Ti—C11—C7	−150.13 (18)
C10—Ti—C2—C3	147.84 (14)	C4—Ti—C11—C7	−37.0 (3)
C9—Ti—C2—C3	136.8 (2)	C2—Ti—C11—C7	−110.23 (19)
C11—Ti—C2—C3	118.68 (15)	C3—Ti—C11—C7	−73.9 (2)
C8—Ti—C2—C3	70.4 (2)	C10—Ti—C11—C7	116.1 (3)
C7—Ti—C2—C3	84.56 (15)	C9—Ti—C11—C7	78.1 (2)
C6—Ti—C2—C3	−93.28 (14)	C8—Ti—C11—C7	36.65 (18)
C5—Ti—C2—C1	74.37 (14)	C6—Ti—C11—C7	−170.52 (18)
C4—Ti—C2—C1	111.59 (14)	C5—Ti—C11—C10	−61.0 (7)
C3—Ti—C2—C1	133.3 (2)	C1—Ti—C11—C10	93.73 (19)
C10—Ti—C2—C1	−78.82 (16)	C4—Ti—C11—C10	−153.09 (18)
C9—Ti—C2—C1	−89.9 (3)	C2—Ti—C11—C10	133.63 (18)
C11—Ti—C2—C1	−107.97 (14)	C3—Ti—C11—C10	169.96 (17)
C8—Ti—C2—C1	−156.26 (16)	C9—Ti—C11—C10	−38.00 (18)
C7—Ti—C2—C1	−142.09 (14)	C8—Ti—C11—C10	−79.5 (2)
C6—Ti—C2—C1	40.07 (13)	C7—Ti—C11—C10	−116.1 (3)
C5—Ti—C2—C12	−173.7 (2)	C6—Ti—C11—C10	73.3 (3)
C1—Ti—C2—C12	112.0 (3)	C3—C2—C12—C16	130.8 (3)
C4—Ti—C2—C12	−136.5 (2)	C1—C2—C12—C16	−53.3 (4)
C3—Ti—C2—C12	−114.7 (3)	Ti—C2—C12—C16	−137.4 (2)
C10—Ti—C2—C12	33.1 (3)	C3—C2—C12—C13	−52.3 (4)
C9—Ti—C2—C12	22.1 (4)	C1—C2—C12—C13	123.7 (3)
C11—Ti—C2—C12	4.0 (2)	Ti—C2—C12—C13	39.5 (4)
C8—Ti—C2—C12	−44.3 (3)	C3—C2—C12—Fe	39.3 (3)
C7—Ti—C2—C12	−30.1 (2)	C1—C2—C12—Fe	−144.7 (2)
C6—Ti—C2—C12	152.0 (2)	Ti—C2—C12—Fe	131.15 (18)
C1—C2—C3—C4	−7.8 (4)	C21—Fe—C12—C16	−72.2 (2)
C12—C2—C3—C4	168.2 (2)	C20—Fe—C12—C16	−39.1 (5)
Ti—C2—C3—C4	41.6 (2)	C15—Fe—C12—C16	37.70 (17)
C1—C2—C3—Ti	−49.45 (19)	C14—Fe—C12—C16	81.38 (18)
C12—C2—C3—Ti	126.6 (2)	C13—Fe—C12—C16	118.8 (2)
C5—Ti—C3—C2	114.88 (15)	C19—Fe—C12—C16	170.0 (2)
C1—Ti—C3—C2	29.56 (13)	C17—Fe—C12—C16	−113.22 (17)
C4—Ti—C3—C2	145.2 (2)	C18—Fe—C12—C16	−155.62 (16)
C10—Ti—C3—C2	−61.6 (2)	C21—Fe—C12—C13	168.98 (18)
C9—Ti—C3—C2	−140.6 (2)	C20—Fe—C12—C13	−157.9 (4)
C11—Ti—C3—C2	−72.73 (16)	C15—Fe—C12—C13	−81.11 (17)
C8—Ti—C3—C2	−138.02 (14)	C16—Fe—C12—C13	−118.8 (2)
C7—Ti—C3—C2	−106.35 (15)	C14—Fe—C12—C13	−37.42 (16)
C6—Ti—C3—C2	72.04 (14)	C19—Fe—C12—C13	51.2 (3)
C5—Ti—C3—C4	−30.34 (13)	C17—Fe—C12—C13	127.97 (16)
C1—Ti—C3—C4	−115.66 (15)	C18—Fe—C12—C13	85.57 (18)
C2—Ti—C3—C4	−145.2 (2)	C21—Fe—C12—C2	48.3 (3)
C10—Ti—C3—C4	153.22 (19)	C20—Fe—C12—C2	81.4 (5)
C9—Ti—C3—C4	74.2 (3)	C15—Fe—C12—C2	158.2 (3)
C11—Ti—C3—C4	142.04 (14)	C16—Fe—C12—C2	120.5 (3)
C8—Ti—C3—C4	76.76 (16)	C14—Fe—C12—C2	−158.1 (3)
C7—Ti—C3—C4	108.43 (15)	C13—Fe—C12—C2	−120.7 (3)
C6—Ti—C3—C4	−73.18 (14)	C19—Fe—C12—C2	−69.5 (4)
C2—C3—C4—C5	7.3 (4)	C17—Fe—C12—C2	7.3 (3)
Ti—C3—C4—C5	49.11 (18)	C18—Fe—C12—C2	−35.1 (3)
C2—C3—C4—Si2	−176.94 (19)	C16—C12—C13—C14	0.8 (3)
Ti—C3—C4—Si2	−135.14 (15)	C2—C12—C13—C14	−176.6 (2)
C2—C3—C4—Ti	−41.8 (2)	Fe—C12—C13—C14	59.31 (19)
C27—Si2—C4—C3	−145.08 (18)	C16—C12—C13—Fe	−58.49 (18)
C25—Si2—C4—C3	91.8 (2)	C2—C12—C13—Fe	124.1 (2)
C26—Si2—C4—C3	−27.3 (2)	C21—Fe—C13—C14	−156.8 (5)
C27—Si2—C4—C5	30.2 (3)	C20—Fe—C13—C14	47.8 (3)
C25—Si2—C4—C5	−92.9 (2)	C15—Fe—C13—C14	−37.59 (18)
C26—Si2—C4—C5	148.0 (2)	C16—Fe—C13—C14	−81.78 (18)
C27—Si2—C4—Ti	123.55 (19)	C19—Fe—C13—C14	83.8 (2)
C25—Si2—C4—Ti	0.4 (2)	C17—Fe—C13—C14	168.01 (18)
C26—Si2—C4—Ti	−118.7 (2)	C18—Fe—C13—C14	126.97 (18)
C5—Ti—C4—C3	132.6 (2)	C12—Fe—C13—C14	−119.7 (2)
C1—Ti—C4—C3	57.88 (14)	C21—Fe—C13—C12	−37.1 (5)
C2—Ti—C4—C3	21.53 (13)	C20—Fe—C13—C12	167.5 (3)
C10—Ti—C4—C3	−126.2 (4)	C15—Fe—C13—C12	82.09 (17)
C9—Ti—C4—C3	−147.57 (15)	C16—Fe—C13—C12	37.90 (15)
C11—Ti—C4—C3	−61.8 (2)	C14—Fe—C13—C12	119.7 (2)
C8—Ti—C4—C3	−118.74 (15)	C19—Fe—C13—C12	−156.48 (16)
C7—Ti—C4—C3	−83.03 (16)	C17—Fe—C13—C12	−72.31 (19)
C6—Ti—C4—C3	92.16 (14)	C18—Fe—C13—C12	−113.35 (16)
C1—Ti—C4—C5	−74.72 (14)	C12—C13—C14—C15	−0.6 (3)
C2—Ti—C4—C5	−111.07 (15)	Fe—C13—C14—C15	59.2 (2)
C3—Ti—C4—C5	−132.6 (2)	C12—C13—C14—Fe	−59.78 (18)
C10—Ti—C4—C5	101.2 (4)	C21—Fe—C14—C15	48.3 (3)
C9—Ti—C4—C5	79.83 (17)	C20—Fe—C14—C15	83.3 (2)
C11—Ti—C4—C5	165.62 (16)	C16—Fe—C14—C15	−37.93 (17)
C8—Ti—C4—C5	108.66 (15)	C13—Fe—C14—C15	−119.3 (2)
C7—Ti—C4—C5	144.37 (15)	C19—Fe—C14—C15	126.17 (18)
C6—Ti—C4—C5	−40.43 (13)	C17—Fe—C14—C15	−161.4 (4)
C5—Ti—C4—Si2	−119.1 (3)	C18—Fe—C14—C15	166.61 (17)
C1—Ti—C4—Si2	166.2 (2)	C12—Fe—C14—C15	−81.76 (18)
C2—Ti—C4—Si2	129.9 (2)	C21—Fe—C14—C13	167.6 (2)
C3—Ti—C4—Si2	108.3 (2)	C20—Fe—C14—C13	−157.40 (18)
C10—Ti—C4—Si2	−17.8 (5)	C15—Fe—C14—C13	119.3 (2)
C9—Ti—C4—Si2	−39.2 (3)	C16—Fe—C14—C13	81.38 (17)
C11—Ti—C4—Si2	46.5 (3)	C19—Fe—C14—C13	−114.51 (18)
C8—Ti—C4—Si2	−10.4 (2)	C17—Fe—C14—C13	−42.1 (5)
C7—Ti—C4—Si2	25.3 (2)	C18—Fe—C14—C13	−74.1 (2)
C6—Ti—C4—Si2	−159.5 (2)	C12—Fe—C14—C13	37.56 (16)
C3—C4—C5—C6	21.8 (3)	C13—C14—C15—C16	0.1 (3)
Si2—C4—C5—C6	−153.38 (18)	Fe—C14—C15—C16	59.4 (2)
Ti—C4—C5—C6	74.29 (16)	C13—C14—C15—Fe	−59.28 (19)
C3—C4—C5—Si3	−169.97 (18)	C21—Fe—C15—C14	−156.85 (18)
Si2—C4—C5—Si3	14.9 (3)	C20—Fe—C15—C14	−113.87 (19)
Ti—C4—C5—Si3	−117.4 (2)	C16—Fe—C15—C14	119.2 (3)
C3—C4—C5—Ti	−52.52 (19)	C13—Fe—C15—C14	37.69 (17)
Si2—C4—C5—Ti	132.32 (19)	C19—Fe—C15—C14	−73.9 (2)
C29—Si3—C5—C4	−89.7 (3)	C17—Fe—C15—C14	170.3 (2)
C30—Si3—C5—C4	37.1 (3)	C18—Fe—C15—C14	−45.9 (6)
C28—Si3—C5—C4	154.1 (2)	C12—Fe—C15—C14	81.71 (18)
C29—Si3—C5—C6	78.1 (2)	C21—Fe—C15—C16	84.0 (2)
C30—Si3—C5—C6	−155.19 (17)	C20—Fe—C15—C16	126.95 (19)
C28—Si3—C5—C6	−38.1 (2)	C14—Fe—C15—C16	−119.2 (3)
C29—Si3—C5—Ti	173.85 (13)	C13—Fe—C15—C16	−81.49 (18)
C30—Si3—C5—Ti	−59.44 (17)	C19—Fe—C15—C16	166.88 (18)
C28—Si3—C5—Ti	57.61 (17)	C17—Fe—C15—C16	51.1 (3)
C1—Ti—C5—C4	101.07 (14)	C18—Fe—C15—C16	−165.1 (4)
C2—Ti—C5—C4	62.42 (14)	C12—Fe—C15—C16	−37.48 (17)
C3—Ti—C5—C4	28.75 (13)	C14—C15—C16—C12	0.4 (3)
C10—Ti—C5—C4	−154.09 (16)	Fe—C15—C16—C12	59.96 (19)
C9—Ti—C5—C4	−124.33 (15)	C14—C15—C16—Fe	−59.6 (2)
C11—Ti—C5—C4	−103.1 (6)	C13—C12—C16—C15	−0.7 (3)
C8—Ti—C5—C4	−86.20 (16)	C2—C12—C16—C15	176.7 (2)
C7—Ti—C5—C4	−57.5 (2)	Fe—C12—C16—C15	−59.2 (2)
C6—Ti—C5—C4	114.36 (19)	C13—C12—C16—Fe	58.50 (17)
C1—Ti—C5—C6	−13.29 (13)	C2—C12—C16—Fe	−124.1 (2)
C4—Ti—C5—C6	−114.36 (19)	C21—Fe—C16—C15	−113.4 (2)
C2—Ti—C5—C6	−51.93 (14)	C20—Fe—C16—C15	−72.4 (2)
C3—Ti—C5—C6	−85.60 (14)	C14—Fe—C16—C15	37.60 (19)
C10—Ti—C5—C6	91.55 (19)	C13—Fe—C16—C15	81.50 (19)
C9—Ti—C5—C6	121.31 (14)	C19—Fe—C16—C15	−43.4 (5)
C11—Ti—C5—C6	142.5 (6)	C17—Fe—C16—C15	−155.79 (19)
C8—Ti—C5—C6	159.45 (14)	C18—Fe—C16—C15	171.8 (2)
C7—Ti—C5—C6	−171.81 (15)	C12—Fe—C16—C15	119.5 (2)
C1—Ti—C5—Si3	−128.66 (15)	C21—Fe—C16—C12	127.09 (17)
C4—Ti—C5—Si3	130.3 (2)	C20—Fe—C16—C12	168.02 (17)
C2—Ti—C5—Si3	−167.31 (14)	C15—Fe—C16—C12	−119.5 (2)
C3—Ti—C5—Si3	159.02 (16)	C14—Fe—C16—C12	−81.93 (17)
C10—Ti—C5—Si3	−23.8 (2)	C13—Fe—C16—C12	−38.04 (15)
C9—Ti—C5—Si3	5.94 (17)	C19—Fe—C16—C12	−163.0 (4)
C11—Ti—C5—Si3	27.1 (7)	C17—Fe—C16—C12	84.67 (18)
C8—Ti—C5—Si3	44.07 (17)	C18—Fe—C16—C12	52.2 (3)
C7—Ti—C5—Si3	72.8 (2)	C21—Fe—C17—C18	119.2 (3)
C6—Ti—C5—Si3	−115.37 (19)	C20—Fe—C17—C18	81.1 (2)
C4—C5—C6—C1	−50.4 (3)	C15—Fe—C17—C18	166.6 (2)
C5—C6—C1—C2	50.1 (3)	C16—Fe—C17—C18	−157.82 (17)
Si1—C1—C6—C5	−140.70 (18)	C14—Fe—C17—C18	−40.0 (6)
Ti—C1—C6—C5	−18.87 (18)	C13—Fe—C17—C18	−73.8 (2)
C2—C1—C6—Si4	−74.1 (2)	C19—Fe—C17—C18	37.41 (18)
Si1—C1—C6—Si4	95.09 (18)	C12—Fe—C17—C18	−114.75 (18)
Ti—C1—C6—Si4	−143.08 (13)	C20—Fe—C17—C21	−38.1 (2)
C2—C1—C6—Ti	68.97 (16)	C15—Fe—C17—C21	47.4 (3)
Si1—C1—C6—Ti	−121.83 (17)	C16—Fe—C17—C21	83.0 (2)
Si3—C5—C6—C1	139.25 (17)	C14—Fe—C17—C21	−159.3 (4)
Ti—C5—C6—C1	19.06 (18)	C13—Fe—C17—C21	166.98 (18)
C4—C5—C6—Si4	73.6 (2)	C19—Fe—C17—C21	−81.8 (2)
Si3—C5—C6—Si4	−96.79 (17)	C18—Fe—C17—C21	−119.2 (3)
Ti—C5—C6—Si4	143.01 (13)	C12—Fe—C17—C21	126.03 (19)
C4—C5—C6—Ti	−69.44 (16)	C21—C17—C18—C19	0.0 (3)
Si3—C5—C6—Ti	120.19 (16)	Fe—C17—C18—C19	−59.1 (2)
C33—Si4—C6—C1	125.64 (17)	C21—C17—C18—Fe	59.1 (2)
C32—Si4—C6—C1	3.5 (2)	C21—Fe—C18—C17	−37.71 (19)
C31—Si4—C6—C1	−114.66 (18)	C20—Fe—C18—C17	−82.1 (2)
C33—Si4—C6—C5	−0.5 (2)	C15—Fe—C18—C17	−155.0 (5)
C32—Si4—C6—C5	−122.67 (18)	C16—Fe—C18—C17	46.8 (3)
C31—Si4—C6—C5	119.19 (18)	C14—Fe—C18—C17	168.47 (18)
C33—Si4—C6—Ti	62.1 (3)	C13—Fe—C18—C17	126.86 (18)
C32—Si4—C6—Ti	−60.1 (3)	C19—Fe—C18—C17	−119.6 (3)
C31—Si4—C6—Ti	−178.2 (2)	C12—Fe—C18—C17	83.2 (2)
C5—Ti—C6—C1	−159.5 (2)	C21—Fe—C18—C19	81.9 (2)
C4—Ti—C6—C1	−119.34 (15)	C20—Fe—C18—C19	37.53 (19)
C2—Ti—C6—C1	−39.41 (13)	C15—Fe—C18—C19	−35.4 (6)
C3—Ti—C6—C1	−79.11 (14)	C16—Fe—C18—C19	166.5 (2)
C10—Ti—C6—C1	73.40 (17)	C14—Fe—C18—C19	−71.9 (2)
C9—Ti—C6—C1	117.90 (16)	C13—Fe—C18—C19	−113.53 (18)
C11—Ti—C6—C1	30.6 (2)	C17—Fe—C18—C19	119.6 (3)
C8—Ti—C6—C1	160.75 (19)	C12—Fe—C18—C19	−157.21 (17)
C7—Ti—C6—C1	−61.9 (11)	C17—C18—C19—C20	−0.1 (3)
C1—Ti—C6—C5	159.5 (2)	Fe—C18—C19—C20	−59.2 (2)
C4—Ti—C6—C5	40.19 (14)	C17—C18—C19—Fe	59.1 (2)
C2—Ti—C6—C5	120.12 (15)	C21—Fe—C19—C20	38.3 (2)
C3—Ti—C6—C5	80.42 (14)	C15—Fe—C19—C20	−71.2 (2)
C10—Ti—C6—C5	−127.07 (16)	C16—Fe—C19—C20	−36.8 (5)
C9—Ti—C6—C5	−82.56 (17)	C14—Fe—C19—C20	−112.4 (2)
C11—Ti—C6—C5	−169.82 (18)	C13—Fe—C19—C20	−155.50 (19)
C8—Ti—C6—C5	−39.7 (2)	C17—Fe—C19—C20	82.1 (2)
C7—Ti—C6—C5	97.6 (11)	C18—Fe—C19—C20	119.3 (3)
C5—Ti—C6—Si4	−79.5 (2)	C12—Fe—C19—C20	168.6 (2)
C1—Ti—C6—Si4	80.0 (2)	C21—Fe—C19—C18	−81.1 (2)
C4—Ti—C6—Si4	−39.3 (2)	C20—Fe—C19—C18	−119.3 (3)
C2—Ti—C6—Si4	40.6 (2)	C15—Fe—C19—C18	169.42 (18)
C3—Ti—C6—Si4	0.9 (2)	C16—Fe—C19—C18	−156.2 (4)
C10—Ti—C6—Si4	153.4 (2)	C14—Fe—C19—C18	128.23 (18)
C9—Ti—C6—Si4	−162.1 (2)	C13—Fe—C19—C18	85.16 (19)
C11—Ti—C6—Si4	110.7 (2)	C17—Fe—C19—C18	−37.26 (18)
C8—Ti—C6—Si4	−119.2 (2)	C12—Fe—C19—C18	49.2 (3)
C7—Ti—C6—Si4	18.1 (12)	C18—C19—C20—C21	0.2 (3)
C5—Ti—C7—C11	−168.20 (18)	Fe—C19—C20—C21	−59.4 (2)
C1—Ti—C7—C11	43.7 (2)	C18—C19—C20—Fe	59.6 (2)
C4—Ti—C7—C11	156.02 (18)	C21—Fe—C20—C19	−118.7 (3)
C2—Ti—C7—C11	78.7 (2)	C15—Fe—C20—C19	127.8 (2)
C3—Ti—C7—C11	117.21 (19)	C16—Fe—C20—C19	168.65 (18)
C10—Ti—C7—C11	−37.40 (18)	C14—Fe—C20—C19	85.3 (2)
C9—Ti—C7—C11	−79.4 (2)	C13—Fe—C20—C19	52.1 (4)
C8—Ti—C7—C11	−116.8 (3)	C17—Fe—C20—C19	−81.0 (2)
C6—Ti—C7—C11	100.4 (10)	C18—Fe—C20—C19	−37.51 (19)
C5—Ti—C7—C8	−51.4 (2)	C12—Fe—C20—C19	−160.5 (4)
C1—Ti—C7—C8	160.48 (17)	C15—Fe—C20—C21	−113.5 (2)
C4—Ti—C7—C8	−87.17 (19)	C16—Fe—C20—C21	−72.7 (2)
C2—Ti—C7—C8	−164.46 (17)	C14—Fe—C20—C21	−156.0 (2)
C3—Ti—C7—C8	−125.98 (18)	C13—Fe—C20—C21	170.7 (2)
C10—Ti—C7—C8	79.4 (2)	C19—Fe—C20—C21	118.7 (3)
C9—Ti—C7—C8	37.40 (18)	C17—Fe—C20—C21	37.7 (2)
C11—Ti—C7—C8	116.8 (3)	C18—Fe—C20—C21	81.2 (2)
C6—Ti—C7—C8	−142.8 (10)	C12—Fe—C20—C21	−41.8 (5)
C11—C7—C8—C9	−0.1 (3)	C18—C17—C21—C20	0.1 (3)
Ti—C7—C8—C9	−63.52 (19)	Fe—C17—C21—C20	59.8 (2)
C11—C7—C8—Ti	63.43 (19)	C18—C17—C21—Fe	−59.6 (2)
C5—Ti—C8—C7	146.52 (17)	C19—C20—C21—C17	−0.2 (4)
C1—Ti—C8—C7	−62.4 (5)	Fe—C20—C21—C17	−60.1 (2)
C4—Ti—C8—C7	104.34 (18)	C19—C20—C21—Fe	59.9 (2)
C2—Ti—C8—C7	24.2 (3)	C20—Fe—C21—C17	118.9 (3)
C3—Ti—C8—C7	65.8 (2)	C15—Fe—C21—C17	−157.32 (17)
C10—Ti—C8—C7	−78.2 (2)	C16—Fe—C21—C17	−114.32 (18)
C9—Ti—C8—C7	−116.2 (3)	C14—Fe—C21—C17	169.3 (2)
C11—Ti—C8—C7	−36.68 (18)	C13—Fe—C21—C17	−44.3 (6)
C6—Ti—C8—C7	173.59 (18)	C19—Fe—C21—C17	81.1 (2)
C5—Ti—C8—C9	−97.31 (19)	C18—Fe—C21—C17	37.45 (18)
C1—Ti—C8—C9	53.8 (5)	C12—Fe—C21—C17	−73.8 (2)
C4—Ti—C8—C9	−139.48 (18)	C15—Fe—C21—C20	83.8 (2)
C2—Ti—C8—C9	140.37 (19)	C16—Fe—C21—C20	126.8 (2)
C3—Ti—C8—C9	−178.07 (17)	C14—Fe—C21—C20	50.4 (4)
C10—Ti—C8—C9	38.02 (18)	C13—Fe—C21—C20	−163.2 (4)
C11—Ti—C8—C9	79.5 (2)	C19—Fe—C21—C20	−37.8 (2)
C7—Ti—C8—C9	116.2 (3)	C17—Fe—C21—C20	−118.9 (3)
C6—Ti—C8—C9	−70.2 (3)	C18—Fe—C21—C20	−81.4 (2)
C7—C8—C9—C10	0.2 (3)	C12—Fe—C21—C20	167.32 (18)
Ti—C8—C9—C10	−64.63 (19)