Information card for entry 1566242

Structure parameters

• Formula: C312 H276 Bi38 O164 Ti18
• Calculated formula: C312 H276 Bi38 O164 Ti18
• 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: 39.6442 ± 0.0016 Å
• b: 39.6442 ± 0.0016 Å
• c: 23.6456 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 32184 ± 3 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.3013
• Weighted residual factors for all reflections included in the refinement: 0.3285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No