Information card for entry 4345684

Structure parameters

• Chemical name: catena-(2-bromo-3-methylpyridine)dichlorocopper (II)
• Formula: C12 H12 Br2 Cl4 Cu2 N2
• Calculated formula: C12 H12 Br2 Cl4 Cu2 N2
• Title of publication: Ferromagnetic Exchange in Bichloride Bridged Cu(II) Chains: Magnetostructural Correlations between Ordered and Disordered Systems
• Authors of publication: Herringer, Susan N.; Landee, Christopher P.; Turnbull, Mark M.; Ribas-Ariño, Jordi; Novoa, Juan J.; Polson, Matthew; Wikaira, Jan L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 16.3043 ± 0.0004 Å
• b: 12.2138 ± 0.0003 Å
• c: 18.5935 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3702.66 ± 0.16 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No