Information card for entry 7222437

Structure parameters

• Formula: C46.25 H55.75 N20.38 Ni3 O12.38
• Calculated formula: C30 H18 N15 Ni3 O7
• Title of publication: Two robust metal‒organic frameworks with uncoordinated N atoms for CO2adsorption
• Authors of publication: Ren, Guo-Jian; Liu, Yan-Qing; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 8198
• a: 23.29 ± 0.003 Å
• b: 23.29 ± 0.003 Å
• c: 23.29 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12633 ± 3 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No