Information card for entry 2229080

Structure parameters

• Chemical name: Poly[[aquabromidocopper(II)]- μ~3~-(picolinato <i>N</i>-oxide)]
• Formula: C6 H6 Br Cu N O4
• Calculated formula: C6 H6 Br Cu N O4
• SMILES: [Cu]1([O]=n2c(cccc2)C(=O)O1)(Br)[OH2]
• Title of publication: <i>catena</i>-Poly[[aquabromidocopper(II)]-μ~3~-(picolinato <i>N</i>-oxide)]
• Authors of publication: Wang, Xin-Yu; Zhang, Xiao-Qing; Wu, Wen-Shi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m225
• a: 9.7116 ± 0.0003 Å
• b: 10.0302 ± 0.0002 Å
• c: 9.4984 ± 0.0003 Å
• α: 90°
• β: 110.821 ± 0.002°
• γ: 90°
• Cell volume: 864.81 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes