Information card for entry 4308271

Structure parameters

• Common name: PCN-5
• Formula: C48 H30 N6 Ni3 O16
• Calculated formula: C48 H24 N6 Ni3 O16
• Title of publication: Metal-Organic Framework Based on a Trinickel Secondary Building Unit Exhibiting Gas-Sorption Hysteresis
• Authors of publication: Shengqian Ma; Xi-Sen Wang; Erika S. Manis; Christopher D. Collier; Hong-Cai Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3432 - 3434
• a: 30.175 ± 0.003 Å
• b: 21.108 ± 0.003 Å
• c: 16.762 ± 0.002 Å
• α: 90°
• β: 123.188 ± 0.002°
• γ: 90°
• Cell volume: 8934.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0622
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No