Information card for entry 7102625

Structure parameters

• Formula: C9 H9 Cu2 N6
• Calculated formula: C9 H9 Cu2 N6
• Title of publication: Two mixed-valence copper(I,II) imidazolate coordination polymers: metal-valence tuning approach for new topological structures.
• Authors of publication: Huang, Xiao-Chun; Zhang, Jie-Peng; Lin, Yan-Yong; Yu, Xiao-Lan; Chen, Xiao-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1100 - 1101
• a: 5.5376 ± 0.0003 Å
• b: 28.1637 ± 0.0016 Å
• c: 14.6134 ± 0.0009 Å
• α: 90°
• β: 91.337 ± 0.001°
• γ: 90°
• Cell volume: 2278.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0424
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No