Information card for entry 4503519

Structure parameters

• Formula: C21 H22 Cd N2 O6
• Calculated formula: C21 H22 Cd N2 O6
• Title of publication: Topological Diversity of Coordination Polymers Containing the Rigid Terephthalate and a Flexible N,N′-Type Ligand: Interpenetration, Polyrotaxane, and Polythreading
• Authors of publication: Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1932
• a: 8.67 ± 0.002 Å
• b: 10.028 ± 0.002 Å
• c: 12.476 ± 0.003 Å
• α: 74.158 ± 0.003°
• β: 78.893 ± 0.003°
• γ: 89.453 ± 0.003°
• Cell volume: 1022.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No