Information card for entry 4345302

Structure parameters

• Formula: C21 H30 Cl4 Ga O3 Ti2
• Calculated formula: C21 H30 Cl4.002 Ga1.001 O3 Ti2
• 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: 25.809 ± 0.005 Å
• b: 7.9901 ± 0.0015 Å
• c: 26.998 ± 0.005 Å
• α: 90°
• β: 108.32 ± 0.02°
• γ: 90°
• Cell volume: 5285.3 ± 1.8 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: 0.0813
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No