Information card for entry 4003340

Structure parameters

• Formula: C45 H56 Cu I N O12 P2 Ti3
• Calculated formula: C45 H56 Cu I 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: 11.9007 ± 0.0005 Å
• b: 13.1334 ± 0.0006 Å
• c: 18.7685 ± 0.0007 Å
• α: 93.366 ± 0.003°
• β: 105.25 ± 0.004°
• γ: 106.592 ± 0.004°
• Cell volume: 2683.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0908
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No