Information card for entry 4123490

Structure parameters

• Formula: C72 H58 O32 Zr6
• Calculated formula: C72 H58 O32 Zr6
• Title of publication: Sequential linker installation: precise placement of functional groups in multivariate metal-organic frameworks.
• Authors of publication: Yuan, Shuai; Lu, Weigang; Chen, Ying-Pin; Zhang, Qiang; Liu, Tian-Fu; Feng, Dawei; Wang, Xuan; Qin, Junsheng; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 9
• Pages of publication: 3177 - 3180
• a: 24.4 ± 0.03 Å
• b: 24.401 Å
• c: 14.88 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8859 ± 16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No