Information card for entry 2228972

Structure parameters

• Chemical name: Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato- κ^2^<i>O</i>,<i>O</i>)copper(II)
• Formula: C6 H7 Br Cu N2 O7
• Calculated formula: C6 H7 Br Cu N2 O7
• SMILES: [Cu]1(OC(=O)c2cccc(Br)[n]12)(ON(=O)=O)([OH2])[OH2]
• Title of publication: Diaqua(6-bromopicolinato-κ^2^<i>N</i>,<i>O</i>)(nitrato-κ^2^<i>O</i>,<i>O</i>)copper(II)
• Authors of publication: Silva, Joana A.; Pereira Magalhães, Ana; Ramos Silva, Manuela; Sobral, Abílio J. F. N.; Pereira, Laura C. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m160
• a: 9.0791 ± 0.0014 Å
• b: 14.035 ± 0.002 Å
• c: 17.165 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2187.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes