Information card for entry 4304084

Structure parameters

• Formula: C24 H20 Br4 Cl Cu N4 O4
• Calculated formula: C24 H20 Br4 Cl Cu N4 O4
• SMILES: [Cu]12([n]3c(CBr)cccc3c3[n]1c(ccc3)CBr)[n]1c(CBr)cccc1c1[n]2c(ccc1)CBr.Cl(=O)(=O)(=O)[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: 13.6503 ± 0.0007 Å
• b: 13.2877 ± 0.0007 Å
• c: 15.887 ± 0.0009 Å
• α: 90°
• β: 99.757 ± 0.001°
• γ: 90°
• Cell volume: 2839.9 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No