Information card for entry 2019002

Structure parameters

• Chemical name: Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate
• Formula: C12 H16 Br2 Cu N2 O3
• Calculated formula: C12 H16 Br2 Cu N2 O3
• SMILES: Br[Cu]12([n]3c(cccc3)C[OH]1)[n]1c(C[OH]2)cccc1.[Br-].O
• Title of publication: Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate
• Authors of publication: Lah, Nina; Lapanje, Katja
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: 624 - 626
• a: 7.9681 ± 0.0006 Å
• b: 9.8543 ± 0.0006 Å
• c: 11.1812 ± 0.0008 Å
• α: 74.974 ± 0.006°
• β: 72.481 ± 0.006°
• γ: 76.59 ± 0.006°
• Cell volume: 797.24 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes