Information card for entry 1566246

Structure parameters

• Formula: C290 H210 Bi38 N6 O159 Ti16
• Calculated formula: C290 H210 Bi38 N6 O159 Ti16
• Title of publication: Stepwise Assembly and Reversible Structure Transformation of Ligated Titanium Coated Bismuth-Oxo Cores: Shell Morphology Engineering for Enhanced Chemical Fixation of CO2
• Authors of publication: Zhang, Lei; Ding, Qing-Rong; Yu, Yinghua; Cao, Changsheng; Zhang, Jian
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 22.5953 ± 0.0002 Å
• b: 37.4685 ± 0.0003 Å
• c: 23.2719 ± 0.0002 Å
• α: 90°
• β: 98.164 ± 0.001°
• γ: 90°
• Cell volume: 19502.6 ± 0.3 ų
• Cell temperature: 110.01 ± 0.1 K
• Ambient diffraction temperature: 110.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No