Information card for entry 7111529

Structure parameters

• Common name: Dibromo(2,5-dimethylpyrazino)copper (ii)
• Chemical name: Dibromo(2,5-dimethylpyrazino)copper (II)
• Formula: C6 H8 Br2 Cu N2
• Calculated formula: C6 H8 Br2 Cu N2
• Title of publication: Strong through-space two-halide magnetic exchange of −234 K in (2,5-dimethylpyrazine)copper(ii) bromide
• Authors of publication: Butcher, Robert T.; Novoa, Juan J.; Ribas-Ariño, Jordi; Sandvik, Anders W.; Turnbull, Mark M.; Landee, Christopher P.; Wells, Brian M.; Awwadi, Firas F.
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1359 - 1361
• a: 9.0555 ± 0.0011 Å
• b: 8.3909 ± 0.001 Å
• c: 6.6969 ± 0.0008 Å
• α: 90°
• β: 109.428 ± 0.008°
• γ: 90°
• Cell volume: 479.88 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No