Information card for entry 2010505

Structure parameters

• Chemical name: [m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl] bis[dichloro(h^5^-cyclopentadienyl)titanium] dichloromethane solvate
• Formula: C25 H32 Cl6 O Si2 Ti2
• Calculated formula: C25 H32 Cl6 O Si2 Ti2
• SMILES: [Ti](Cl)(Cl)([cH]12)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[c]23[Si](C)(C)O[Si](C)(C)[c]12[Ti](Cl)(Cl)([cH]13)([cH]21)([cH]12)([cH]23)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23.C(Cl)Cl
• Title of publication: [(η^5^-C~5~<i>R</i>~5~)TiCl~2~(η^5^-C~5~H~4~SiMe~2~)]~2~O·<i>n</i>CH~2~Cl~2~ (<i>R</i> = H, Me; <i>n</i> = 1, 0)
• Authors of publication: Grimmond, Brian J.; Corey, Joyce Y.; Rath, Nigam P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 53 - 55
• a: 13.6494 ± 0.0002 Å
• b: 12.8573 ± 0.0002 Å
• c: 18.4995 ± 0.0003 Å
• α: 90°
• β: 103.977 ± 0.001°
• γ: 90°
• Cell volume: 3150.44 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.146
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No