Information card for entry 1562010

Structure parameters

• Formula: C182.67 H102 O60 P3 Zr9
• Calculated formula: C183 H102 O60 P3 Zr9
• Title of publication: Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.
• Authors of publication: Gong, Wei; Liu, Yan; Cui, Yong
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 231
• Journal issue: 0
• Pages of publication: 168 - 180
• a: 45.122 ± 0.006 Å
• b: 45.122 ± 0.006 Å
• c: 49.238 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 86818 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No