Information card for entry 2010506

Structure parameters

• Chemical name: [m-1,2(h^5^)-1,3-dicyclopentadienyl-1,1,3,3-tetramethyldisiloxanyl]bis [dichloro(h^5^-pentamethylcyclopentadienyl)titanium]
• Formula: C34 H50 Cl4 O Si2 Ti2
• Calculated formula: C34 H50 Cl4 O Si2 Ti2
• SMILES: [Ti](Cl)(Cl)([c]12C)([c]13C)([c]21C)([c]12C)([c]23C)([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)([c]12C)([c]13C)([c]21C)([c]12C)[c]23C
• 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: 8.1319 ± 0.0001 Å
• b: 22.2503 ± 0.0003 Å
• c: 21.697 ± 0.0003 Å
• α: 90°
• β: 97.97 ± 0.01°
• γ: 90°
• Cell volume: 3887.87 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No