Information card for entry 4003345

Structure parameters

• Formula: C52 H88 Br2 Cu2 N2 O26 P2 S2 Ti6
• Calculated formula: C52 H74 Br2 Cu2 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: 24.2854 ± 0.001 Å
• b: 26.7805 ± 0.0009 Å
• c: 12.2991 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7999 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No