Information card for entry 7230011

Structure parameters

• Formula: C96 H86 Cd3 N14 O22 P2
• Calculated formula: C96 H74 Cd3 N14 O22 P2
• Title of publication: Structural diversity of six metal‒organic frameworks from a rigid bisimidazole ligand and their adsorption of organic dyes
• Authors of publication: Liu, Siyu; Guo, Mingming; Guo, Huadong; Sun, Yingying; Guo, Xianmin; Sun, Shaowen; Alexandrov, Eugeny V.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 4039
• a: 10.6823 ± 0.0007 Å
• b: 15.8149 ± 0.0009 Å
• c: 15.9776 ± 0.001 Å
• α: 63.889 ± 0.001°
• β: 79.164 ± 0.001°
• γ: 72.15 ± 0.001°
• Cell volume: 2302.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No