Information card for entry 2221335

Structure parameters

• Chemical name: Bis(2-bromoacetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C16 H12 Br2 Cu N2 O4
• Calculated formula: C16 H12 Br2 Cu N2 O4
• SMILES: c1ccc2c3[n]1[Cu]([n]1cccc(c31)cc2)(OC(=O)CBr)OC(=O)CBr
• Title of publication: Bis(2-bromoacetato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: He, Guofang; Sun, Junshan; Zhao, Rengao; Li, Jikun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m417
• a: 10.3898 ± 0.0016 Å
• b: 17.974 ± 0.002 Å
• c: 10.182 ± 0.003 Å
• α: 90°
• β: 116.142 ± 0.019°
• γ: 90°
• Cell volume: 1706.9 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes