Information card for entry 2232663

Structure parameters

• Common name: 1,1',3-tris(trimethylsilyl)titanocene dichloride
• Chemical name: [η^5^-1,3-Bis(trimethylsilyl)cyclopentadienyl]dichlorido[η^5^- (trimethylsilyl)cyclopentadienyl]titanium(IV)
• Formula: C19 H34 Cl2 Si3 Ti
• Calculated formula: C19 H34 Cl2 Si3 Ti
• SMILES: [Ti]12345678(Cl)(Cl)([cH]9[c]1([Si](C)(C)C)[cH]2[cH]3[c]49[Si](C)(C)C)[cH]1[cH]5[cH]6[cH]7[c]81[Si](C)(C)C
• Title of publication: [η^5^-1,3-Bis(trimethylsilyl)cyclopentadienyl]dichlorido[η^5^-(trimethylsilyl)cyclopentadienyl]titanium(IV)
• Authors of publication: Perdih, Franc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1693
• a: 10.2588 ± 0.0002 Å
• b: 18.6417 ± 0.0004 Å
• c: 13.3061 ± 0.0002 Å
• α: 90°
• β: 105.238 ± 0.0012°
• γ: 90°
• Cell volume: 2455.21 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes