Information card for entry 4506700

Structure parameters

• Formula: C16 H18 Cd N4 O8
• Calculated formula: C16 H18 Cd N4 O8
• Title of publication: 2-Propyl-4,5-dicarboxylate-imidazole (H3PIDC) Based Cadmium(II) Coordination Compounds Stabilized by Supramolecular Interactions: From Mononuclear and Tetranuclear Oligomers to One-Dimensional (1D) Chain and Two-Dimensional (2D) Layer Polymers
• Authors of publication: Deng, Ji-Hua; Zhong, Di-Chang; Luo, Xu-Zhong; Liu, Hui-Jin; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4861
• a: 8.342 ± 0.002 Å
• b: 10.217 ± 0.003 Å
• c: 11.334 ± 0.003 Å
• α: 90°
• β: 91.735 ± 0.005°
• γ: 90°
• Cell volume: 965.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No