Information card for entry 7043158

Structure parameters

• Formula: C28 H49 Si2 Ti
• Calculated formula: C27.524 H48.167 Cl0.119 Si2 Ti
• Title of publication: Decamethyltitanocene hydride intermediates in hydrogenation of corresponding titanocene-(η2-ethene) or (η2-alkyne) complexes and effects of bulkier auxiliary ligands
• Authors of publication: Pinkas, Jiri; Gyepes, Robert; Cisarova, Ivana; Kubišta, Jiří; Horacek, Michal; Mach, Karel
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.9701 ± 0.0006 Å
• b: 14.603 ± 0.0007 Å
• c: 15.4311 ± 0.0007 Å
• α: 90°
• β: 102.825 ± 0.002°
• γ: 90°
• Cell volume: 2849.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0674
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No