Information card for entry 4508265

Structure parameters

• Formula: C34 H20 N6 Ni2 O8
• Calculated formula: C34 H20 N6 Ni2 O8
• Title of publication: A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption
• Authors of publication: Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 4125
• a: 19.513 ± 0.003 Å
• b: 22.317 ± 0.003 Å
• c: 11.632 ± 0.0015 Å
• α: 90°
• β: 116.608 ± 0.018°
• γ: 90°
• Cell volume: 4528.9 ± 1.3 ų
• Cell temperature: 433 ± 0.1 K
• Ambient diffraction temperature: 433 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No