Information card for entry 4125135

Structure parameters

• Formula: C56 H16 N16 O64 Zr6
• Calculated formula: C56 H16 N16 O64 Zr6
• Title of publication: Linker Installation: Engineering Pore Environment with Precisely Placed Functionalities in Zirconium MOFs.
• Authors of publication: Yuan, Shuai; Chen, Ying-Pin; Qin, Jun-Sheng; Lu, Weigang; Zou, Lanfang; Zhang, Qiang; Wang, Xuan; Sun, Xing; Zhou, Hong-Cai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 28
• Pages of publication: 8912 - 8919
• a: 23.024 ± 0.002 Å
• b: 23.024 ± 0.002 Å
• c: 18.6484 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9885.6 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.1483
• Residual factor for significantly intense reflections: 0.0889
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No