Information card for entry 7209220

Structure parameters

• Formula: C48 H72 N18 Ni3 O33 P6
• Calculated formula: C48 H66 N18 Ni3 O33 P6
• Title of publication: Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2
• Authors of publication: Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 2040
• a: 20.319 ± 0.003 Å
• b: 20.319 ± 0.003 Å
• c: 14.754 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5275.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No