Information card for entry 7206019

Structure parameters

• Formula: C2 H3 Cu N4
• Calculated formula: C2 H3 Cu N4
• Title of publication: Packing polymorphism of a two-dimensional copper(i) 3-amino-1,2,4-triazolate coordination polymer
• Authors of publication: Chen, Da; Liu, Yi-Jiang; Lin, Yan-Yong; Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 3827
• a: 10.3115 ± 0.0009 Å
• b: 10.4977 ± 0.001 Å
• c: 14.7439 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1596 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No