Information card for entry 4511465

Structure parameters

• Common name: copper(I) imidazolate
• Formula: C3 H3 Cu N2
• Calculated formula: C3 H3 Cu N2
• Title of publication: One-Dimensional Supramolecular Isomerism of Copper(I) and Silver(I) Imidazolates Based on the Ligand Orientations
• Authors of publication: Huang, Xiao-Chun; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1194
• a: 16.1207 ± 0.0017 Å
• b: 16.1229 ± 0.0017 Å
• c: 13.1021 ± 0.0014 Å
• α: 90°
• β: 99.85 ± 0.002°
• γ: 90°
• Cell volume: 3355.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No