Information card for entry 4508856

Structure parameters

• Formula: C2 H3 Cd Cl N4
• Calculated formula: C2 H3 Cd Cl N4
• Title of publication: A Novel Chiral Cd(II) Coordination Polymer Based on Achiral Unsymmetrical 3-Amino-1,2,4-triazole with an Unprecedented μ4-Bridging Mode
• Authors of publication: Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2136
• a: 6.4126 ± 0.0005 Å
• b: 7.8307 ± 0.0009 Å
• c: 10.4658 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 525.54 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No