Information card for entry 2237363

Structure parameters

• Common name: (3-picoline)2CuBr2
• Chemical name: <i>trans</i>-Dibromidobis(3-methylpyridine-κ<i>N</i>)copper(II)
• Formula: C12 H14 Br2 Cu N2
• Calculated formula: C12 H14 Br2 Cu N2
• SMILES: c1c(C)ccc[n]1[Cu](Br)([n]1cc(ccc1)C)Br
• Title of publication: <i>trans</i>-Dibromidobis(3-methylpyridine-κ<i>N</i>)copper(II)
• Authors of publication: Awwadi, Firas F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m116
• a: 4.0171 ± 0.0008 Å
• b: 14.105 ± 0.003 Å
• c: 11.899 ± 0.002 Å
• α: 90°
• β: 92.54 ± 0.03°
• γ: 90°
• Cell volume: 673.5 ± 0.2 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes