Information card for entry 7127734

Structure parameters

• Formula: C130 H164 Br12 O46 Ti10
• Calculated formula: C130 H164 Br12 O46 Ti10
• Title of publication: Monocarboxylate-driven structural growth in Calix[n]arene-polyoxotitanate hybrid systems: utility in hydrogen production from water.
• Authors of publication: Yang, Xin-Xue; Yu, Wei-Dong; Yi, Xiao-Yi; Li, Lei-Jiao; Liu, Chao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 90
• Pages of publication: 14035 - 14038
• a: 14.966 ± 0.0003 Å
• b: 15.4941 ± 0.0003 Å
• c: 20.8678 ± 0.0004 Å
• α: 98.6889 ± 0.0017°
• β: 110.598 ± 0.0017°
• γ: 100.033 ± 0.0016°
• Cell volume: 4340.33 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No