Information card for entry 4001878

Structure parameters

• Formula: C13 H8 N2 Ni O6
• Calculated formula: C13 H3 N2 Ni O6
• Title of publication: Combinational Synthetic Approaches for Isoreticular and Polymorphic Metal‒Organic Frameworks with Tuned Pore Geometries and Surface Properties
• Authors of publication: Jeong, Seok; Kim, Dongwook; Shin, Sunyoung; Moon, Dohyun; Cho, Sung June; Lah, Myoung Soo
• Journal of publication: Chemistry of Materials
• Year of publication: 2014
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 1711
• a: 16.571 ± 0.002 Å
• b: 16.571 ± 0.002 Å
• c: 6.9253 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1646.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 189
• Hermann-Mauguin space group symbol: P -6 2 m
• Hall space group symbol: P -6 -2
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No