Information card for entry 4512977

Structure parameters

• Formula: C26 H30 Mn N8 O4
• Calculated formula: C26 H30 Mn N8 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: 19.9356 ± 0.0006 Å
• b: 19.9356 ± 0.0006 Å
• c: 50.3772 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17339 ± 0.9 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: 0.0891
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No