Information card for entry 2227148

Structure parameters

• Common name: pyrimidine-2-carboxylate azido copperII)
• Formula: C10 H6 Cu3 N16 O4
• Calculated formula: C10 H6 Cu3 N16 O4
• Title of publication: Poly[tetra-μ~1,1~-azido-bis(μ~2~-pyrimidine-2-carboxylato)tricopper(II)]
• Authors of publication: Zhao, Jiong-Peng; Liu, Fu-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m973
• a: 7.4743 ± 0.0015 Å
• b: 14.997 ± 0.003 Å
• c: 9.479 ± 0.004 Å
• α: 90°
• β: 122.31 ± 0.02°
• γ: 90°
• Cell volume: 898 ± 0.5 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: 0.0675
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes