Information card for entry 4345380

Structure parameters

• Formula: C224 H300 O58 Sm4 Ti5
• Calculated formula: C193 H232 O46 Sm4 Ti5
• Title of publication: Heterometallic Lanthanide-Titanium Oxo Clusters: A New Family of Water Oxidation Catalysts.
• Authors of publication: Lu, Dong-Fei; Kong, Xiang-Jian; Lu, Tong-Bu; Long, La-Sheng; Zheng, Lan-Sun
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1057 - 1060
• a: 21.7272 ± 0.0009 Å
• b: 23.2244 ± 0.0013 Å
• c: 27.1406 ± 0.0013 Å
• α: 92.025 ± 0.004°
• β: 111.781 ± 0.004°
• γ: 102.79 ± 0.004°
• Cell volume: 12297.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2894
• Residual factor for significantly intense reflections: 0.1625
• Weighted residual factors for significantly intense reflections: 0.3723
• Weighted residual factors for all reflections included in the refinement: 0.4386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No