Information card for entry 4512978

Structure parameters

• Formula: C26 H30 N8 Ni O4
• Calculated formula: C26 H30 N8 Ni O4
• Title of publication: Synthesis and Characterization of Polyhedral-Based Metal‒Organic Frameworks Using a Flexible Bipyrazole Ligand: Topological Analysis and Sorption Property Studies
• Authors of publication: Tomar, Kapil; Rajak, Richa; Sanda, Suresh; Konar, Sanjit
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2732
• a: 19.688 ± 0.0015 Å
• b: 19.688 ± 0.0015 Å
• c: 48.637 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16327 ± 2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No