Information card for entry 7111500

Structure parameters

• Formula: C3 H3 Cu N2
• Calculated formula: C3 H3 Cu N2
• Title of publication: Crystal engineering of binary metal imidazolate and triazolate frameworks
• Authors of publication: Zhang, Jie-Peng; Chen, Xiao-Ming
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 16
• Pages of publication: 1689 - 1699
• 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