Literature DB >> 22199510

[η-1,3-Bis(trimethyl-sil-yl)cyclo-penta-dien-yl]dichlorido[η-(trimethyl-sil-yl)cyclo-penta-dien-yl]titanium(IV).

Franc Perdih1.   

Abstract

In the title compound, [Ti(C(8)H(13)Si)(C(11)H(21)Si(2))Cl(2)], the Ti(IV) atom is bonded to two Cl atoms, one 1,3-bis-(trimethyl-sil-yl)cyclo-penta-dienyl (Si(2)Cp) and one (trimethyl-sil-yl)cyclo-penta-dienyl ring (SiCp). The Si(2)Cp centroid-titanium distance is 2.0763 (10) Å and the SiCp centroid-titanium distance is 2.0793 (10) Å. The angle subtended at the Ti atom by the centroids of both cyclo-penta-dienyl rings is 131.22 (4)° and the Cl-Ti-Cl angle is 94.14 (2)°.

Entities:  

Year:  2011        PMID: 22199510      PMCID: PMC3238619          DOI: 10.1107/S1600536811046228

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For background to metallocene catalysts, see: Kaminsky et al. (2006 ▶); Erker et al. (2006 ▶); Alt et al. (2006 ▶); Zhu et al. (2010 ▶); Luo et al. (2011 ▶); Winter et al. (1992 ▶); Möhring & Coville (2006 ▶). For related structures, see: Klouras & Nastopoulos (1991 ▶); Clearfield et al. (1975 ▶); McKenzie et al. (1975 ▶); Winter et al. (1992 ▶). For synthetic procedures, see: Winter et al. (1992 ▶).

Experimental

Crystal data

[Ti(C8H13Si)(C11H21Si2)Cl2] M = 465.53 Monoclinic, a = 10.2588 (2) Å b = 18.6417 (4) Å c = 13.3061 (2) Å β = 105.2380 (12)° V = 2455.21 (8) Å3 Z = 4 Mo Kα radiation μ = 0.72 mm−1 T = 150 K 0.2 × 0.2 × 0.2 mm

Data collection

Nonius KappaCCD area-detector diffractometer Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997 ▶) T min = 0.870, T max = 0.870 10555 measured reflections 5586 independent reflections 4437 reflections with I > 2σ(I) R int = 0.024

Refinement

R[F 2 > 2σ(F 2)] = 0.037 wR(F 2) = 0.091 S = 1.03 5586 reflections 235 parameters H-atom parameters constrained Δρmax = 0.34 e Å−3 Δρmin = −0.37 e Å−3 Data collection: COLLECT (Nonius, 1998 ▶); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997 ▶); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 (Farrugia, 1997 ▶); software used to prepare material for publication: WinGX (Farrugia, 1999 ▶) and publCIF (Westrip, 2010 ▶). Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536811046228/fj2469sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811046228/fj2469Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ti(C8H13Si)(C11H21Si2)Cl2]F(000) = 984
Mr = 465.53Dx = 1.259 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 5741 reflections
a = 10.2588 (2) Åθ = 2.6–27.5°
b = 18.6417 (4) ŵ = 0.72 mm1
c = 13.3061 (2) ÅT = 150 K
β = 105.2380 (12)°Cube, red
V = 2455.21 (8) Å30.2 × 0.2 × 0.2 mm
Z = 4
Nonius KappaCCD area-detector diffractometer5586 independent reflections
graphite4437 reflections with I > 2σ(I)
Detector resolution: 0.055 pixels mm-1Rint = 0.024
ω scansθmax = 27.4°, θmin = 3.6°
Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997)h = −13→13
Tmin = 0.870, Tmax = 0.870k = −24→24
10555 measured reflectionsl = −17→17
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.037Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091H-atom parameters constrained
S = 1.03w = 1/[σ2(Fo2) + (0.0373P)2 + 1.6583P] where P = (Fo2 + 2Fc2)/3
5586 reflections(Δ/σ)max = 0.001
235 parametersΔρmax = 0.34 e Å3
0 restraintsΔρmin = −0.37 e Å3
Experimental. 224 frames in 6 sets of ω scans. Rotation/frame = 1.8 °. Crystal-detector distance = 31.0 mm. Measuring time = 190 s/°.
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.
xyzUiso*/Ueq
Ti10.92494 (3)0.234506 (19)0.42358 (3)0.02364 (10)
Cl10.71504 (5)0.24806 (3)0.46198 (4)0.03426 (13)
Cl21.01487 (6)0.15818 (3)0.56780 (4)0.03435 (13)
Si11.30658 (6)0.27181 (4)0.45355 (5)0.03322 (15)
Si20.78071 (6)0.42245 (3)0.33826 (5)0.03503 (15)
Si30.71083 (7)0.05471 (3)0.35754 (5)0.03846 (16)
C11.0327 (2)0.33664 (11)0.37062 (15)0.0275 (4)
H11.03920.34160.3010.033*
C21.1309 (2)0.30217 (11)0.45156 (15)0.0284 (4)
C31.0828 (2)0.31075 (12)0.54242 (15)0.0300 (4)
H31.12850.29470.61030.036*
C40.9591 (2)0.34617 (11)0.51647 (15)0.0291 (4)
H40.90670.35760.56350.035*
C50.9235 (2)0.36265 (11)0.40747 (15)0.0280 (4)
C60.7751 (2)0.18915 (12)0.26451 (15)0.0334 (5)
H60.68380.20460.24240.04*
C70.8836 (2)0.22377 (13)0.24119 (16)0.0362 (5)
H70.87950.26630.20120.043*
C81.0014 (2)0.18388 (13)0.28814 (16)0.0368 (5)
H81.09090.1950.28570.044*
C90.9620 (2)0.12503 (12)0.33887 (16)0.0350 (5)
H91.02110.08910.3760.042*
C100.8207 (2)0.12731 (11)0.32631 (15)0.0310 (4)
C110.7207 (3)−0.02067 (16)0.2689 (3)0.0641 (8)
H11A0.6925−0.0040.19650.096*
H11B0.661−0.05950.27880.096*
H11C0.8139−0.03830.28440.096*
C120.7701 (4)0.02490 (18)0.4949 (2)0.0724 (10)
H12A0.7092−0.01220.50850.109*
H12B0.77080.06580.54130.109*
H12C0.86160.00530.50760.109*
C130.5332 (3)0.08662 (16)0.3299 (3)0.0618 (8)
H13A0.49860.09610.25510.093*
H13B0.52980.13080.3690.093*
H13C0.47750.04980.35090.093*
C141.3327 (2)0.27575 (16)0.32045 (19)0.0469 (6)
H14A1.28670.3180.28390.07*
H14B1.29560.23240.28180.07*
H14C1.42960.27890.32560.07*
C151.3414 (3)0.18025 (18)0.5086 (3)0.0638 (9)
H15A1.29160.14510.45820.096*
H15B1.31260.17690.57310.096*
H15C1.43850.17040.52370.096*
C161.4201 (3)0.3360 (2)0.5413 (3)0.0824 (12)
H16A1.51410.32060.55190.124*
H16B1.39780.33740.60850.124*
H16C1.40840.38390.50990.124*
C170.8614 (3)0.49936 (15)0.2878 (2)0.0541 (7)
H17A0.91040.48160.23870.081*
H17B0.92460.52360.3460.081*
H17C0.79160.53330.25210.081*
C180.6585 (3)0.37676 (14)0.2286 (2)0.0508 (7)
H18A0.61490.33720.25580.076*
H18B0.70660.35790.17960.076*
H18C0.58980.41120.19260.076*
C190.6945 (3)0.45443 (17)0.4363 (3)0.0675 (9)
H19A0.61680.48420.40190.101*
H19B0.75770.48280.48940.101*
H19C0.66340.41310.46920.101*
U11U22U33U12U13U23
Ti10.02510 (18)0.02871 (19)0.01821 (16)0.00288 (14)0.00763 (13)0.00125 (14)
Cl10.0271 (2)0.0417 (3)0.0371 (3)0.0018 (2)0.0138 (2)−0.0020 (2)
Cl20.0404 (3)0.0375 (3)0.0245 (2)0.0065 (2)0.0073 (2)0.0061 (2)
Si10.0254 (3)0.0444 (4)0.0301 (3)0.0038 (3)0.0077 (2)−0.0004 (3)
Si20.0319 (3)0.0316 (3)0.0409 (3)0.0044 (2)0.0085 (3)0.0080 (3)
Si30.0456 (4)0.0308 (3)0.0402 (3)−0.0033 (3)0.0135 (3)0.0001 (3)
C10.0278 (10)0.0312 (11)0.0243 (9)−0.0008 (8)0.0083 (8)0.0015 (8)
C20.0268 (10)0.0334 (11)0.0255 (9)−0.0005 (8)0.0078 (8)−0.0007 (8)
C30.0326 (11)0.0353 (11)0.0212 (9)−0.0002 (9)0.0056 (8)−0.0022 (8)
C40.0334 (11)0.0310 (11)0.0254 (10)0.0000 (9)0.0120 (8)−0.0029 (8)
C50.0275 (10)0.0290 (10)0.0273 (10)0.0010 (8)0.0070 (8)0.0021 (8)
C60.0394 (12)0.0343 (12)0.0230 (10)−0.0023 (9)0.0020 (9)−0.0017 (9)
C70.0526 (14)0.0381 (12)0.0180 (9)−0.0084 (10)0.0092 (9)−0.0025 (9)
C80.0384 (12)0.0495 (14)0.0269 (10)−0.0067 (10)0.0164 (9)−0.0117 (10)
C90.0432 (13)0.0355 (12)0.0282 (10)0.0055 (10)0.0129 (10)−0.0067 (9)
C100.0394 (12)0.0292 (11)0.0252 (10)0.0007 (9)0.0102 (9)−0.0021 (8)
C110.076 (2)0.0430 (16)0.077 (2)−0.0130 (14)0.0278 (17)−0.0178 (14)
C120.098 (3)0.061 (2)0.0527 (17)−0.0260 (18)0.0103 (17)0.0199 (15)
C130.0491 (16)0.0462 (16)0.093 (2)−0.0067 (13)0.0235 (16)−0.0016 (16)
C140.0336 (12)0.0719 (18)0.0394 (13)0.0101 (12)0.0168 (10)0.0136 (12)
C150.0499 (16)0.076 (2)0.0739 (19)0.0297 (15)0.0312 (15)0.0387 (17)
C160.0327 (14)0.114 (3)0.100 (3)−0.0141 (17)0.0159 (16)−0.061 (2)
C170.0524 (16)0.0399 (14)0.0620 (17)−0.0081 (12)0.0010 (13)0.0171 (13)
C180.0360 (13)0.0431 (14)0.0625 (17)−0.0001 (11)−0.0059 (12)0.0117 (12)
C190.073 (2)0.065 (2)0.074 (2)0.0377 (17)0.0348 (17)0.0128 (16)
Ti1—C82.344 (2)C6—H60.95
Ti1—Cl12.3537 (6)C7—C81.416 (3)
Ti1—C72.360 (2)C7—H70.95
Ti1—Cl22.3723 (6)C8—C91.402 (3)
Ti1—C52.398 (2)C8—H80.95
Ti1—C12.399 (2)C9—C101.416 (3)
Ti1—C42.399 (2)C9—H90.95
Ti1—C22.404 (2)C11—H11A0.98
Ti1—C32.408 (2)C11—H11B0.98
Ti1—C92.410 (2)C11—H11C0.98
Ti1—C62.418 (2)C12—H12A0.98
Ti1—C102.467 (2)C12—H12B0.98
Si1—C161.854 (3)C12—H12C0.98
Si1—C151.855 (3)C13—H13A0.98
Si1—C141.861 (2)C13—H13B0.98
Si1—C21.883 (2)C13—H13C0.98
Si2—C191.856 (3)C14—H14A0.98
Si2—C181.862 (3)C14—H14B0.98
Si2—C171.867 (3)C14—H14C0.98
Si2—C51.878 (2)C15—H15A0.98
Si3—C121.853 (3)C15—H15B0.98
Si3—C111.855 (3)C15—H15C0.98
Si3—C131.860 (3)C16—H16A0.98
Si3—C101.876 (2)C16—H16B0.98
C1—C21.420 (3)C16—H16C0.98
C1—C51.421 (3)C17—H17A0.98
C1—H10.95C17—H17B0.98
C2—C31.430 (3)C17—H17C0.98
C3—C41.391 (3)C18—H18A0.98
C3—H30.95C18—H18B0.98
C4—C51.433 (3)C18—H18C0.98
C4—H40.95C19—H19A0.98
C6—C71.391 (3)C19—H19B0.98
C6—C101.422 (3)C19—H19C0.98
C8—Ti1—Cl1136.06 (6)C4—C3—H3125.1
C8—Ti1—C735.04 (8)C2—C3—H3125.1
Cl1—Ti1—C7107.76 (6)Ti1—C3—H3121.1
C8—Ti1—Cl2104.05 (6)C3—C4—C5109.03 (18)
Cl1—Ti1—Cl294.14 (2)C3—C4—Ti173.52 (12)
C7—Ti1—Cl2135.04 (6)C5—C4—Ti172.58 (12)
C8—Ti1—C5109.13 (8)C3—C4—H4125.5
Cl1—Ti1—C585.88 (5)C5—C4—H4125.5
C7—Ti1—C589.85 (7)Ti1—C4—H4120.1
Cl2—Ti1—C5131.43 (5)C1—C5—C4105.19 (17)
C8—Ti1—C179.66 (8)C1—C5—Si2128.13 (15)
Cl1—Ti1—C1119.82 (5)C4—C5—Si2125.58 (16)
C7—Ti1—C174.77 (7)C1—C5—Ti172.79 (12)
Cl2—Ti1—C1127.05 (5)C4—C5—Ti172.67 (12)
C5—Ti1—C134.46 (7)Si2—C5—Ti1128.36 (10)
C8—Ti1—C4135.41 (8)C7—C6—C10110.2 (2)
Cl1—Ti1—C479.24 (5)C7—C6—Ti170.79 (12)
C7—Ti1—C4124.46 (8)C10—C6—Ti174.96 (12)
Cl2—Ti1—C497.50 (5)C7—C6—H6124.9
C5—Ti1—C434.75 (7)C10—C6—H6124.9
C1—Ti1—C456.39 (7)Ti1—C6—H6120.9
C8—Ti1—C282.67 (8)C6—C7—C8107.3 (2)
Cl1—Ti1—C2136.63 (5)C6—C7—Ti175.40 (12)
C7—Ti1—C296.71 (8)C8—C7—Ti171.89 (12)
Cl2—Ti1—C292.88 (5)C6—C7—H7126.3
C5—Ti1—C258.37 (7)C8—C7—H7126.3
C1—Ti1—C234.40 (7)Ti1—C7—H7118.4
C4—Ti1—C257.42 (7)C9—C8—C7107.6 (2)
C8—Ti1—C3116.06 (8)C9—C8—Ti175.41 (12)
Cl1—Ti1—C3106.85 (5)C7—C8—Ti173.07 (12)
C7—Ti1—C3129.31 (8)C9—C8—H8126.2
Cl2—Ti1—C376.78 (5)C7—C8—H8126.2
C5—Ti1—C357.17 (7)Ti1—C8—H8117.4
C1—Ti1—C356.08 (7)C8—C9—C10109.6 (2)
C4—Ti1—C333.64 (7)C8—C9—Ti170.32 (12)
C2—Ti1—C334.57 (7)C10—C9—Ti175.35 (12)
C8—Ti1—C934.27 (8)C8—C9—H9125.2
Cl1—Ti1—C9117.28 (6)C10—C9—H9125.2
C7—Ti1—C956.96 (8)Ti1—C9—H9120.8
Cl2—Ti1—C978.16 (6)C9—C10—C6105.27 (19)
C5—Ti1—C9143.12 (7)C9—C10—Si3127.46 (17)
C1—Ti1—C9113.16 (7)C6—C10—Si3125.99 (17)
C4—Ti1—C9162.98 (8)C9—C10—Ti170.91 (12)
C2—Ti1—C9106.05 (8)C6—C10—Ti171.21 (12)
C3—Ti1—C9130.21 (8)Si3—C10—Ti1132.15 (10)
C8—Ti1—C656.67 (8)Si3—C11—H11A109.5
Cl1—Ti1—C679.64 (6)Si3—C11—H11B109.5
C7—Ti1—C633.81 (8)H11A—C11—H11B109.5
Cl2—Ti1—C6121.39 (6)Si3—C11—H11C109.5
C5—Ti1—C6106.42 (7)H11A—C11—H11C109.5
C1—Ti1—C6104.86 (7)H11B—C11—H11C109.5
C4—Ti1—C6136.68 (7)Si3—C12—H12A109.5
C2—Ti1—C6130.51 (7)Si3—C12—H12B109.5
C3—Ti1—C6160.80 (7)H12A—C12—H12B109.5
C9—Ti1—C655.71 (8)Si3—C12—H12C109.5
C8—Ti1—C1057.12 (8)H12A—C12—H12C109.5
Cl1—Ti1—C1084.58 (5)H12B—C12—H12C109.5
C7—Ti1—C1057.03 (7)Si3—C13—H13A109.5
Cl2—Ti1—C1087.78 (5)Si3—C13—H13B109.5
C5—Ti1—C10140.22 (7)H13A—C13—H13B109.5
C1—Ti1—C10131.20 (7)Si3—C13—H13C109.5
C4—Ti1—C10163.27 (7)H13A—C13—H13C109.5
C2—Ti1—C10138.47 (7)H13B—C13—H13C109.5
C3—Ti1—C10161.24 (7)Si1—C14—H14A109.5
C9—Ti1—C1033.74 (7)Si1—C14—H14B109.5
C6—Ti1—C1033.82 (7)H14A—C14—H14B109.5
C16—Si1—C15108.75 (19)Si1—C14—H14C109.5
C16—Si1—C14110.49 (16)H14A—C14—H14C109.5
C15—Si1—C14110.56 (14)H14B—C14—H14C109.5
C16—Si1—C2104.80 (12)Si1—C15—H15A109.5
C15—Si1—C2111.50 (11)Si1—C15—H15B109.5
C14—Si1—C2110.59 (10)H15A—C15—H15B109.5
C19—Si2—C18110.54 (16)Si1—C15—H15C109.5
C19—Si2—C17110.16 (15)H15A—C15—H15C109.5
C18—Si2—C17109.88 (13)H15B—C15—H15C109.5
C19—Si2—C5107.49 (12)Si1—C16—H16A109.5
C18—Si2—C5112.99 (11)Si1—C16—H16B109.5
C17—Si2—C5105.65 (11)H16A—C16—H16B109.5
C12—Si3—C11109.97 (17)Si1—C16—H16C109.5
C12—Si3—C13109.98 (17)H16A—C16—H16C109.5
C11—Si3—C13109.33 (15)H16B—C16—H16C109.5
C12—Si3—C10111.98 (12)Si2—C17—H17A109.5
C11—Si3—C10105.61 (12)Si2—C17—H17B109.5
C13—Si3—C10109.86 (12)H17A—C17—H17B109.5
C2—C1—C5111.03 (17)Si2—C17—H17C109.5
C2—C1—Ti173.01 (12)H17A—C17—H17C109.5
C5—C1—Ti172.75 (12)H17B—C17—H17C109.5
C2—C1—H1124.5Si2—C18—H18A109.5
C5—C1—H1124.5Si2—C18—H18B109.5
Ti1—C1—H1121.3H18A—C18—H18B109.5
C1—C2—C3104.91 (17)Si2—C18—H18C109.5
C1—C2—Si1129.21 (15)H18A—C18—H18C109.5
C3—C2—Si1124.29 (15)H18B—C18—H18C109.5
C1—C2—Ti172.59 (11)Si2—C19—H19A109.5
C3—C2—Ti172.86 (12)Si2—C19—H19B109.5
Si1—C2—Ti1130.06 (11)H19A—C19—H19B109.5
C4—C3—C2109.76 (18)Si2—C19—H19C109.5
C4—C3—Ti172.84 (12)H19A—C19—H19C109.5
C2—C3—Ti172.57 (12)H19B—C19—H19C109.5
C8—Ti1—C1—C2−92.10 (13)C10—Ti1—C5—C4153.45 (12)
Cl1—Ti1—C1—C2130.24 (10)C8—Ti1—C5—Si292.64 (13)
C7—Ti1—C1—C2−127.73 (13)Cl1—Ti1—C5—Si2−45.01 (12)
Cl2—Ti1—C1—C27.78 (14)C7—Ti1—C5—Si262.81 (13)
C5—Ti1—C1—C2119.20 (17)Cl2—Ti1—C5—Si2−136.90 (9)
C4—Ti1—C1—C279.99 (13)C1—Ti1—C5—Si2125.39 (19)
C3—Ti1—C1—C239.25 (11)C4—Ti1—C5—Si2−122.03 (19)
C9—Ti1—C1—C2−84.70 (13)C2—Ti1—C5—Si2160.79 (16)
C6—Ti1—C1—C2−143.33 (12)C3—Ti1—C5—Si2−158.12 (16)
C10—Ti1—C1—C2−118.84 (13)C9—Ti1—C5—Si287.04 (17)
C8—Ti1—C1—C5148.70 (13)C6—Ti1—C5—Si232.91 (14)
Cl1—Ti1—C1—C511.05 (13)C10—Ti1—C5—Si231.42 (19)
C7—Ti1—C1—C5113.08 (13)C8—Ti1—C6—C7−38.83 (14)
Cl2—Ti1—C1—C5−111.42 (11)Cl1—Ti1—C6—C7146.12 (14)
C4—Ti1—C1—C5−39.20 (11)Cl2—Ti1—C6—C7−125.34 (13)
C2—Ti1—C1—C5−119.20 (17)C5—Ti1—C6—C763.59 (15)
C3—Ti1—C1—C5−79.94 (13)C1—Ti1—C6—C727.80 (15)
C9—Ti1—C1—C5156.11 (12)C4—Ti1—C6—C784.20 (17)
C6—Ti1—C1—C597.47 (12)C2—Ti1—C6—C71.45 (18)
C10—Ti1—C1—C5121.96 (12)C3—Ti1—C6—C734.3 (3)
C5—C1—C2—C3−3.0 (2)C9—Ti1—C6—C7−80.35 (15)
Ti1—C1—C2—C3−66.23 (14)C10—Ti1—C6—C7−118.1 (2)
C5—C1—C2—Si1−168.80 (16)C8—Ti1—C6—C1079.29 (14)
Ti1—C1—C2—Si1127.93 (18)Cl1—Ti1—C6—C10−95.75 (12)
C5—C1—C2—Ti163.27 (15)C7—Ti1—C6—C10118.1 (2)
C16—Si1—C2—C1107.6 (2)Cl2—Ti1—C6—C10−7.22 (15)
C15—Si1—C2—C1−134.9 (2)C5—Ti1—C6—C10−178.29 (12)
C14—Si1—C2—C1−11.4 (2)C1—Ti1—C6—C10145.92 (13)
C16—Si1—C2—C3−55.7 (2)C4—Ti1—C6—C10−157.68 (12)
C15—Si1—C2—C361.7 (2)C2—Ti1—C6—C10119.58 (13)
C14—Si1—C2—C3−174.82 (19)C3—Ti1—C6—C10152.5 (2)
C16—Si1—C2—Ti1−151.92 (18)C9—Ti1—C6—C1037.77 (13)
C15—Si1—C2—Ti1−34.44 (19)C10—C6—C7—C80.2 (2)
C14—Si1—C2—Ti189.01 (16)Ti1—C6—C7—C865.30 (14)
C8—Ti1—C2—C182.40 (13)C10—C6—C7—Ti1−65.13 (15)
Cl1—Ti1—C2—C1−74.67 (13)C8—Ti1—C7—C6114.2 (2)
C7—Ti1—C2—C150.21 (13)Cl1—Ti1—C7—C6−35.16 (15)
Cl2—Ti1—C2—C1−173.79 (11)Cl2—Ti1—C7—C680.19 (16)
C5—Ti1—C2—C1−35.46 (11)C5—Ti1—C7—C6−120.78 (14)
C4—Ti1—C2—C1−76.73 (13)C1—Ti1—C7—C6−152.15 (15)
C3—Ti1—C2—C1−112.26 (17)C4—Ti1—C7—C6−124.12 (14)
C9—Ti1—C2—C1107.71 (12)C2—Ti1—C7—C6−178.89 (14)
C6—Ti1—C2—C149.40 (15)C3—Ti1—C7—C6−166.13 (13)
C10—Ti1—C2—C196.29 (14)C9—Ti1—C7—C676.30 (15)
C8—Ti1—C2—C3−165.34 (13)C10—Ti1—C7—C635.82 (13)
Cl1—Ti1—C2—C337.60 (15)Cl1—Ti1—C7—C8−149.32 (12)
C7—Ti1—C2—C3162.47 (13)Cl2—Ti1—C7—C8−33.97 (17)
Cl2—Ti1—C2—C3−61.53 (12)C5—Ti1—C7—C8125.06 (14)
C5—Ti1—C2—C376.81 (13)C1—Ti1—C7—C893.69 (14)
C1—Ti1—C2—C3112.26 (17)C4—Ti1—C7—C8121.71 (14)
C4—Ti1—C2—C335.53 (12)C2—Ti1—C7—C866.95 (14)
C9—Ti1—C2—C3−140.03 (12)C3—Ti1—C7—C879.71 (16)
C6—Ti1—C2—C3161.66 (12)C9—Ti1—C7—C8−37.86 (13)
C10—Ti1—C2—C3−151.44 (12)C6—Ti1—C7—C8−114.2 (2)
C8—Ti1—C2—Si1−44.60 (13)C10—Ti1—C7—C8−78.35 (14)
Cl1—Ti1—C2—Si1158.33 (8)C6—C7—C8—C90.4 (2)
C7—Ti1—C2—Si1−76.79 (14)Ti1—C7—C8—C968.09 (14)
Cl2—Ti1—C2—Si159.20 (12)C6—C7—C8—Ti1−67.66 (15)
C5—Ti1—C2—Si1−162.46 (16)Cl1—Ti1—C8—C9−69.53 (16)
C1—Ti1—C2—Si1−127.00 (19)C7—Ti1—C8—C9−113.98 (19)
C4—Ti1—C2—Si1156.26 (16)Cl2—Ti1—C8—C942.00 (14)
C3—Ti1—C2—Si1120.73 (19)C5—Ti1—C8—C9−174.02 (13)
C9—Ti1—C2—Si1−19.30 (15)C1—Ti1—C8—C9167.85 (15)
C6—Ti1—C2—Si1−77.61 (16)C4—Ti1—C8—C9158.46 (13)
C10—Ti1—C2—Si1−30.71 (19)C2—Ti1—C8—C9133.15 (14)
C1—C2—C3—C42.2 (2)C3—Ti1—C8—C9123.95 (13)
Si1—C2—C3—C4168.97 (16)C6—Ti1—C8—C9−76.56 (14)
Ti1—C2—C3—C4−63.81 (15)C10—Ti1—C8—C9−35.92 (13)
C1—C2—C3—Ti166.04 (14)Cl1—Ti1—C8—C744.45 (17)
Si1—C2—C3—Ti1−127.22 (16)Cl2—Ti1—C8—C7155.98 (12)
C8—Ti1—C3—C4134.12 (13)C5—Ti1—C8—C7−60.04 (14)
Cl1—Ti1—C3—C4−36.15 (12)C1—Ti1—C8—C7−78.17 (14)
C7—Ti1—C3—C495.15 (14)C4—Ti1—C8—C7−87.56 (16)
Cl2—Ti1—C3—C4−126.51 (12)C2—Ti1—C8—C7−112.87 (14)
C5—Ti1—C3—C437.31 (12)C3—Ti1—C8—C7−122.07 (13)
C1—Ti1—C3—C478.83 (13)C9—Ti1—C8—C7113.98 (19)
C2—Ti1—C3—C4117.89 (18)C6—Ti1—C8—C737.42 (13)
C9—Ti1—C3—C4171.82 (12)C10—Ti1—C8—C778.06 (14)
C6—Ti1—C3—C471.2 (3)C7—C8—C9—C10−0.9 (2)
C10—Ti1—C3—C4−161.9 (2)Ti1—C8—C9—C1065.64 (15)
C8—Ti1—C3—C216.23 (15)C7—C8—C9—Ti1−66.51 (14)
Cl1—Ti1—C3—C2−154.04 (11)Cl1—Ti1—C9—C8132.99 (12)
C7—Ti1—C3—C2−22.74 (16)C7—Ti1—C9—C838.74 (13)
Cl2—Ti1—C3—C2115.60 (12)Cl2—Ti1—C9—C8−138.45 (14)
C5—Ti1—C3—C2−80.58 (13)C5—Ti1—C9—C89.4 (2)
C1—Ti1—C3—C2−39.06 (12)C1—Ti1—C9—C8−13.02 (16)
C4—Ti1—C3—C2−117.89 (18)C4—Ti1—C9—C8−61.7 (3)
C9—Ti1—C3—C253.93 (15)C2—Ti1—C9—C8−48.84 (15)
C6—Ti1—C3—C2−46.7 (3)C3—Ti1—C9—C8−77.35 (16)
C10—Ti1—C3—C280.2 (3)C6—Ti1—C9—C879.62 (14)
C2—C3—C4—C5−0.7 (2)C10—Ti1—C9—C8117.49 (19)
Ti1—C3—C4—C5−64.39 (15)C8—Ti1—C9—C10−117.49 (19)
C2—C3—C4—Ti163.64 (15)Cl1—Ti1—C9—C1015.50 (14)
C8—Ti1—C4—C3−66.74 (16)C7—Ti1—C9—C10−78.75 (14)
Cl1—Ti1—C4—C3144.92 (12)Cl2—Ti1—C9—C10104.06 (12)
C7—Ti1—C4—C3−110.83 (13)C5—Ti1—C9—C10−108.06 (15)
Cl2—Ti1—C4—C352.11 (12)C1—Ti1—C9—C10−130.51 (12)
C5—Ti1—C4—C3−116.70 (17)C4—Ti1—C9—C10−179.2 (2)
C1—Ti1—C4—C3−77.84 (13)C2—Ti1—C9—C10−166.34 (12)
C2—Ti1—C4—C3−36.52 (12)C3—Ti1—C9—C10165.16 (12)
C9—Ti1—C4—C3−21.8 (3)C6—Ti1—C9—C10−37.87 (12)
C6—Ti1—C4—C3−153.01 (13)C8—C9—C10—C60.9 (2)
C10—Ti1—C4—C3159.7 (2)Ti1—C9—C10—C663.40 (14)
C8—Ti1—C4—C549.96 (17)C8—C9—C10—Si3168.54 (15)
Cl1—Ti1—C4—C5−98.38 (11)Ti1—C9—C10—Si3−129.01 (16)
C7—Ti1—C4—C55.87 (16)C8—C9—C10—Ti1−62.45 (15)
Cl2—Ti1—C4—C5168.81 (11)C7—C6—C10—C9−0.7 (2)
C1—Ti1—C4—C538.85 (11)Ti1—C6—C10—C9−63.20 (14)
C2—Ti1—C4—C580.18 (13)C7—C6—C10—Si3−168.51 (15)
C3—Ti1—C4—C5116.70 (17)Ti1—C6—C10—Si3128.97 (16)
C9—Ti1—C4—C594.9 (3)C7—C6—C10—Ti162.52 (15)
C6—Ti1—C4—C5−36.31 (17)C12—Si3—C10—C955.8 (2)
C10—Ti1—C4—C5−83.6 (3)C11—Si3—C10—C9−63.8 (2)
C2—C1—C5—C42.5 (2)C13—Si3—C10—C9178.4 (2)
Ti1—C1—C5—C465.97 (14)C12—Si3—C10—C6−139.0 (2)
C2—C1—C5—Si2170.91 (16)C11—Si3—C10—C6101.3 (2)
Ti1—C1—C5—Si2−125.65 (17)C13—Si3—C10—C6−16.5 (2)
C2—C1—C5—Ti1−63.44 (15)C12—Si3—C10—Ti1−42.1 (2)
C3—C4—C5—C1−1.1 (2)C11—Si3—C10—Ti1−161.77 (16)
Ti1—C4—C5—C1−66.06 (14)C13—Si3—C10—Ti180.43 (18)
C3—C4—C5—Si2−169.83 (16)C8—Ti1—C10—C936.50 (13)
Ti1—C4—C5—Si2125.18 (16)Cl1—Ti1—C10—C9−166.20 (12)
C3—C4—C5—Ti164.99 (15)C7—Ti1—C10—C978.53 (14)
C19—Si2—C5—C1−167.0 (2)Cl2—Ti1—C10—C9−71.83 (12)
C18—Si2—C5—C170.8 (2)C5—Ti1—C10—C9116.91 (14)
C17—Si2—C5—C1−49.4 (2)C1—Ti1—C10—C968.30 (15)
C19—Si2—C5—C4−0.8 (2)C4—Ti1—C10—C9179.2 (2)
C18—Si2—C5—C4−123.0 (2)C2—Ti1—C10—C920.02 (17)
C17—Si2—C5—C4116.8 (2)C3—Ti1—C10—C9−37.4 (3)
C19—Si2—C5—Ti194.86 (17)C6—Ti1—C10—C9114.34 (18)
C18—Si2—C5—Ti1−27.36 (17)C8—Ti1—C10—C6−77.84 (14)
C17—Si2—C5—Ti1−147.53 (14)Cl1—Ti1—C10—C679.46 (13)
C8—Ti1—C5—C1−32.75 (13)C7—Ti1—C10—C6−35.80 (13)
Cl1—Ti1—C5—C1−170.40 (11)Cl2—Ti1—C10—C6173.84 (13)
C7—Ti1—C5—C1−62.58 (12)C5—Ti1—C10—C62.57 (19)
Cl2—Ti1—C5—C197.70 (12)C1—Ti1—C10—C6−46.04 (16)
C4—Ti1—C5—C1112.58 (17)C4—Ti1—C10—C664.9 (3)
C2—Ti1—C5—C135.39 (11)C2—Ti1—C10—C6−94.31 (15)
C3—Ti1—C5—C176.49 (12)C3—Ti1—C10—C6−151.8 (2)
C9—Ti1—C5—C1−38.36 (18)C9—Ti1—C10—C6−114.34 (18)
C6—Ti1—C5—C1−92.48 (12)C8—Ti1—C10—Si3160.20 (18)
C10—Ti1—C5—C1−93.97 (15)Cl1—Ti1—C10—Si3−42.50 (14)
C8—Ti1—C5—C4−145.33 (12)C7—Ti1—C10—Si3−157.76 (18)
Cl1—Ti1—C5—C477.02 (11)Cl2—Ti1—C10—Si351.88 (14)
C7—Ti1—C5—C4−175.16 (13)C5—Ti1—C10—Si3−119.39 (14)
Cl2—Ti1—C5—C4−14.87 (14)C1—Ti1—C10—Si3−168.00 (12)
C1—Ti1—C5—C4−112.58 (17)C4—Ti1—C10—Si3−57.1 (3)
C2—Ti1—C5—C4−77.18 (12)C2—Ti1—C10—Si3143.73 (13)
C3—Ti1—C5—C4−36.09 (12)C3—Ti1—C10—Si386.3 (3)
C9—Ti1—C5—C4−150.93 (14)C9—Ti1—C10—Si3123.7 (2)
C6—Ti1—C5—C4154.94 (12)C6—Ti1—C10—Si3−122.0 (2)
  3 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Dicylopenta-dien-yl[4-(4-vinyl-benz-yloxy)pyridine-2,6-dicarboxyl-ato]titanium(IV) monohydrate.

Authors:  Fanghua Zhu; Yuancheng Qin; Jiehong Lei; Lin Zhang; Qiang Yin
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-06-16

3.  Trichlorido-1κCl,2κCl-(2,6-dimethyl-phenolato-2κO)-μ-oxido-bis{1,2(η)-2,3,4,5-tetra-methyl-1-[4-(trimethyl-silyl)phen-yl]cyclo-penta-dien-yl}dititanium(IV).

Authors:  Xuyang Luo; Qiaolin Wu; Ying Mu
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-09-14
  3 in total

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