Information card for entry 1562008

Structure parameters

• Formula: C61 H42 O17 Zr3
• Calculated formula: C61 H42 O17 Zr3
• 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: 42.697 ± 0.006 Å
• b: 42.697 ± 0.006 Å
• c: 37.907 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69106 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 98
• Hermann-Mauguin space group symbol: I 41 2 2
• Hall space group symbol: I 4bw 2bw
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No