Information card for entry 7024933

Structure parameters

• Common name: Bis(methoxypyrazine)dibromocopper(ii)
• Chemical name: Bis(methoxypyrazine)dibromocopper(II)
• Formula: C10 H12 Br2 Cu N4 O2
• Calculated formula: C10 H12 Br2 Cu N4 O2
• SMILES: Br[Cu]([n]1cc(ncc1)OC)([n]1cc(ncc1)OC)Br
• Title of publication: Synthesis, structure, and magnetic properties of bis(monosubstituted-pyrazine)dihalocopper(II).
• Authors of publication: Herringer, Susan N.; Longendyke, Alyssa J.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.; Jameson, Geoffrey B.; Telfer, Shane G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2785 - 2797
• a: 3.9265 ± 0.0003 Å
• b: 7.4714 ± 0.0006 Å
• c: 11.5678 ± 0.0009 Å
• α: 88.598 ± 0.004°
• β: 88.971 ± 0.004°
• γ: 82.34 ± 0.004°
• Cell volume: 336.19 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No