Information card for entry 4329380

Structure parameters

• Chemical name: catena-quinoxalinodibromocopper(II)
• Formula: C8 H6 Br2 Cu N2
• Calculated formula: C8 H6 Br2 Cu N2
• Title of publication: Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu(quinoxoline)X2 and Cu(2,3-dimethylpyrazine)X2 (X = Cl, Br)
• Authors of publication: Joaquim Jornet-Somoza; Núria Codina-Castillo; Mercè Deumal; Fernando Mota; Juan J. Novoa; Robert T. Butcher; Mark M. Turnbull; Brian Keith; Christopher P. Landee; Jan L. Wikaira
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6315 - 6325
• a: 13.1018 ± 0.0003 Å
• b: 6.9535 ± 0.0001 Å
• c: 10.324 ± 0.0007 Å
• α: 90°
• β: 107.547 ± 0.008°
• γ: 90°
• Cell volume: 896.79 ± 0.08 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No