Information card for entry 1517744

Structure parameters

• Formula: C6 H5 N2 Ni O4
• Calculated formula: C6 H5 N2 Ni O4
• Title of publication: Highly selective sieving of small gas molecules by using an ultra-microporous metal‒organic framework membrane
• Authors of publication: Kang, Zixi; Xue, Ming; Fan, Lili; Huang, Lin; Guo, Lijia; Wei, Guoying; Chen, Banglin; Qiu, Shilun
• Journal of publication: Energy Environ. Sci.
• Year of publication: 2014
• Journal volume: 7
• Journal issue: 12
• Pages of publication: 4053
• a: 6.5827 ± 0.0006 Å
• b: 7.8919 ± 0.0007 Å
• c: 15.4217 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 801.16 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 2 21
• Hall space group symbol: P 2ac 2ac
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No