Information card for entry 4512910

Structure parameters

• Formula: C26 H26 Cd2 N6 O9
• Calculated formula: C26 H26 Cd2 N6 O9
• 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: 16.224 ± 0.005 Å
• b: 12.979 ± 0.004 Å
• c: 16.226 ± 0.005 Å
• α: 90°
• β: 100.056 ± 0.01°
• γ: 90°
• Cell volume: 3364.2 ± 1.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No