Information card for entry 4345297

Structure parameters

• Formula: C80 H161 Al2 Cl12 O38 Ti8
• Calculated formula: C80 H161 Al2 Cl12 O38 Ti8
• Title of publication: Impact of Group 13 Metals on Cp2TiCl2 Reduction and Structural Characterization of Resulting Compounds
• Authors of publication: Petrus, Rafał; Utko, Józef; Lis, Tadeusz; Sobota, Piotr
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 19.5 ± 0.005 Å
• b: 27.522 ± 0.007 Å
• c: 22.206 ± 0.006 Å
• α: 90°
• β: 94.13 ± 0.02°
• γ: 90°
• Cell volume: 11887 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.114
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No