Information card for entry 4304089

Structure parameters

• Formula: C12 H10 Cl4 Cu N2
• Calculated formula: C12 H10 Cl4 Cu N2
• SMILES: [Cu]1(Cl)(Cl)[n]2c(CCl)cccc2c2[n]1c(ccc2)CCl
• 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: 7.2122 ± 0.0005 Å
• b: 16.7929 ± 0.0012 Å
• c: 11.5223 ± 0.0008 Å
• α: 90°
• β: 95.977 ± 0.002°
• γ: 90°
• Cell volume: 1387.92 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No