Information card for entry 1562006

Structure parameters

• Formula: C195.5 H248 N19 O67 Zr6
• Calculated formula: C141.5 H122 N O49 Zr6
• 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: 25.1903 ± 0.001 Å
• b: 29.0888 ± 0.0012 Å
• c: 64.585 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 47325 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No