Information card for entry 4003343

Structure parameters

• Formula: C53 H79 Cu I N2 O24 P2 Ti6
• Calculated formula: C53 H73 Cu I N2 O24 P2 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: 14.814 ± 0.0004 Å
• b: 14.9378 ± 0.0008 Å
• c: 20.7492 ± 0.001 Å
• α: 71.798 ± 0.005°
• β: 81.023 ± 0.003°
• γ: 79.495 ± 0.003°
• Cell volume: 4264.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1151
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No