Information card for entry 4511711

Structure parameters

• Formula: C40 H30 Cd2 N8 O9
• Calculated formula: C40 H30 Cd2 N8 O9
• Title of publication: New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties
• Authors of publication: Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 3727
• a: 13.202 ± 0.004 Å
• b: 27.475 ± 0.008 Å
• c: 7.641 ± 0.002 Å
• α: 90°
• β: 123.254 ± 0.004°
• γ: 90°
• Cell volume: 2317.7 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No