Information card for entry 4123489

Structure parameters

• Formula: C83 H66 N O33 Zr6
• Calculated formula: C83 H66 N O33 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: 34.351 ± 0.017 Å
• b: 34.351 Å
• c: 14.71 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17358 ± 12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.2271
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2475
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No