Information card for entry 2020761

Structure parameters

• Chemical name: Bromidobis[<i>N</i>-(6-methylpyridin-2-yl-κ<i>N</i>)acetamide-κ<i>O</i>]copper(II) bromide
• Formula: C16 H20 Br2 Cu N4 O2
• Calculated formula: C16 H20 Br2 Cu N4 O2
• SMILES: Br[Cu]12([O]=C(Nc3[n]1c(ccc3)C)C)[O]=C(Nc1[n]2c(ccc1)C)C.[Br-]
• Title of publication: Copper(II) bromide, nitrate and perchlorate complexes with sterically demanding <i>N</i>-(6-methylpyridin-2-yl)acetamide ligands
• Authors of publication: Smolentsev, Anton I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• a: 9.0673 ± 0.0012 Å
• b: 10.1144 ± 0.0014 Å
• c: 11.7417 ± 0.0014 Å
• α: 69.013 ± 0.005°
• β: 77.791 ± 0.005°
• γ: 81.901 ± 0.005°
• Cell volume: 980.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0462
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes