Information card for entry 7229627

Structure parameters

• Formula: C62 H62 Cd4 N6 O22
• Calculated formula: C62 H62 Cd4 N6 O22
• Title of publication: Fabrication of a new metal‒organic framework for sensitive sensing of nitroaromatics and efficient dye adsorption
• Authors of publication: Wu, Wei-Ping; Wu, Jian; Liu, Jian-Qiang; Trivedi, Manoj; Kumar, Abhinav
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 86
• Pages of publication: 54522
• a: 14.0179 ± 0.0019 Å
• b: 27.727 ± 0.004 Å
• c: 14.0053 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5443.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No