Information card for entry 4506009

Structure parameters

• Formula: C45 H51 Cd2 Cl N18 O9
• Calculated formula: C45 H45 Cd2 Cl N18 O9
• Title of publication: Series of Cd(II) Metal‒Organic Frameworks Based on a Flexible Tripodal Ligand and Polycarboxylate Acids: Syntheses, Structures, and Photoluminescent Properties
• Authors of publication: Wang, Xianjuan; Liu, Yanhua; Xu, Chunying; Guo, Qianqian; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2435
• a: 9.6398 ± 0.0019 Å
• b: 13.065 ± 0.003 Å
• c: 21.054 ± 0.004 Å
• α: 102.46 ± 0.03°
• β: 102.39 ± 0.03°
• γ: 99.52 ± 0.03°
• Cell volume: 2465.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No