Information card for entry 4509751

Structure parameters

• Formula: C21 H29 Cd1.5 N4 O14 S
• Calculated formula: C21 H29 Cd1.5 N4 O14 S
• Title of publication: Polymeric Frameworks Constructed from Bulky Carboxylates and 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and Properties
• Authors of publication: Liu, Lin; Li, Zifeng; Wang, Baolan; Li, Gang; Wang, Lipeng; Meng, Xiangru; He, Zhanhang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5244
• a: 12.317 ± 0.003 Å
• b: 14.72 ± 0.003 Å
• c: 16.784 ± 0.003 Å
• α: 90°
• β: 105.89 ± 0.03°
• γ: 90°
• Cell volume: 2926.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No