Information card for entry 4304813

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: 13.7386 ± 0.0018 Å
• b: 8.0167 ± 0.001 Å
• c: 7.2151 ± 0.0009 Å
• α: 90°
• β: 113.971 ± 0.002°
• γ: 90°
• Cell volume: 726.12 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No