Information card for entry 2204757

Structure parameters

• Formula: C16 H16 Br2 Cu N6
• Calculated formula: C16 H16 Br2 Cu N6
• SMILES: Br[Cu]1([n]2c(cccc2)c2[n]1cccc2)([n]1c[nH]cc1)[n]1c[nH]cc1.[Br-]
• Title of publication: (2,2'-Bipyridine)bromodiimidazolecopper(II) bromide
• Authors of publication: Feng-Yi Xia; Xin-Hua Li; Xin-Xiang Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m1955 - m1956
• a: 13.121 ± 0.005 Å
• b: 8.731 ± 0.003 Å
• c: 16.205 ± 0.006 Å
• α: 90°
• β: 97.56 ± 0.006°
• γ: 90°
• Cell volume: 1840.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes