Information card for entry 4304812

Structure parameters

• Formula: C3 H5 Cu2 N3 O2
• Calculated formula: C3 Cu2 N3 O2
• Title of publication: Two Cuprous Cyanide Polymorphs: Diamond Net versus 3,4-Connected Net
• Authors of publication: Xian-Ming Zhang; Ying-Lian Qing; Hai-Shun Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2255 - 2257
• a: 12.0108 ± 0.0016 Å
• b: 8.3037 ± 0.0011 Å
• c: 7.5441 ± 0.001 Å
• α: 90°
• β: 95.773 ± 0.002°
• γ: 90°
• Cell volume: 748.59 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No