Information card for entry 4003339

Structure parameters

• Formula: C45 H59 Br Cu N O12 P2 Ti3
• Calculated formula: C45 H59 Br Cu N O12 P2 Ti3
• 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: 12.1894 ± 0.001 Å
• b: 12.9651 ± 0.0011 Å
• c: 18.4828 ± 0.0015 Å
• α: 91.798 ± 0.001°
• β: 106.513 ± 0.003°
• γ: 106.143 ± 0.003°
• Cell volume: 2670.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No