Information card for entry 4339777

Structure parameters

• Formula: C6 H4 Cu N4 O2
• Calculated formula: C6 H4 Cu N4 O2
• Title of publication: Two new copper azido polymorphs: structures, magnetic properties, and effects of "noninnocent" reagents in hydrothermal methods.
• Authors of publication: Liu, Fu-Chen; Zeng, Yong-Fei; Zhao, Jiong-Peng; Hu, Bo-Wen; Sañudo, E Carolina; Ribas, Joan; Bu, Xian-He
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7698 - 7700
• a: 4.872 ± 0.0014 Å
• b: 14.347 ± 0.004 Å
• c: 11.655 ± 0.003 Å
• α: 90°
• β: 114.709 ± 0.009°
• γ: 90°
• Cell volume: 740.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0261
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No