Information card for entry 2005999

Structure parameters

• Chemical name: Diaqua-bis(pyridine-2-carboxamide-N',O)copper(II) Dibromide
• Formula: C12 H16 Br2 Cu N4 O4
• Calculated formula: C12 H16 Br2 Cu N4 O4
• SMILES: C1(c2cccc[n]2[Cu]2([OH2])([OH2])([O]=1)[n]1c(C(N)=[O]2)cccc1)N.[Br-].[Br-]
• Title of publication: <i>trans</i>-Diaquabis(pyridine-2-carboxamide-<i>N</i>^1^,<i>O</i>)copper(II) Dichloride and Dibromide
• Authors of publication: Sieroń, L.; Bukowska-Strżyzewska, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 296 - 298
• a: 6.3722 ± 0.0006 Å
• b: 10.2962 ± 0.0008 Å
• c: 13.1279 ± 0.0014 Å
• α: 90°
• β: 94.4 ± 0.008°
• γ: 90°
• Cell volume: 858.78 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.0746
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No