Information card for entry 7043159

Structure parameters

• Formula: C40 H62.5 Cl0.25 Ti2
• Calculated formula: C40 H63.358 Cl0.321 Ti2
• 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: 38.9059 ± 0.0017 Å
• b: 8.4278 ± 0.0003 Å
• c: 22.7517 ± 0.001 Å
• α: 90°
• β: 90.247 ± 0.002°
• γ: 90°
• Cell volume: 7460 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No