Information card for entry 4003344

Structure parameters

• Formula: C52 H88 Cl2 Cu N2 O26 P2 S2 Ti6
• Calculated formula: C52 H83 Cl2 Cu N2 O26 P2 S2 Ti6
• Title of publication: Titanium‒Oxo Cluster Based Precise Assembly for Multidimensional Materials
• Authors of publication: Fang, Wei-Hui; Wang, Jian-Fang; Zhang, Lei; Zhang, Jian
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 2681
• a: 19.8913 ± 0.0004 Å
• b: 21.1284 ± 0.0003 Å
• c: 19.7411 ± 0.0003 Å
• α: 90°
• β: 95.314 ± 0.002°
• γ: 90°
• Cell volume: 8261 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0827
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No