Information card for entry 4304087

Structure parameters

• Formula: C12 H12 Br2.11 Cl1.89 Cu N2 O
• Calculated formula: C12 H12 Br2.114 Cl1.886 Cu N2 O
• Title of publication: Halogen Exchange and Scrambling between C-X and M-X' Bonds in Copper, Nickel, and Cobalt Complexes of 6,6'-bis(bromo/ chloromethyl)-2,2'-bipyridine. Structural, Electrochemical, and Photochemical Studies
• Authors of publication: Meenakshi Ghosh; Papu Biswas; Ulrich Flörke; Kamalaksha Nag
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 281 - 296
• a: 9.7776 ± 0.0012 Å
• b: 7.5783 ± 0.0009 Å
• c: 20.6 ± 0.003 Å
• α: 90°
• β: 92.811 ± 0.002°
• γ: 90°
• Cell volume: 1524.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No