Information card for entry 4345192

Structure parameters

• Formula: C132 H228 Br4 Cl2 Cu2 N2 O56 P6 Ti14
• Calculated formula: C132 H196 Br4 Cl2 Cu2 N2 O56 P6 Ti14
• Title of publication: Cocrystal of {Ti4} and {Ti6} Clusters with Enhanced Photochemical Properties
• Authors of publication: Wang, Jian-Fang; Fang, Wei-Hui; Li, Dong-Sheng; Zhang, Lei; Zhang, Jian
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 30.412 ± 0.01 Å
• b: 13.125 ± 0.005 Å
• c: 24.283 ± 0.009 Å
• α: 90°
• β: 100.654 ± 0.009°
• γ: 90°
• Cell volume: 9526 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1169
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.2374
• Weighted residual factors for all reflections included in the refinement: 0.2871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No