Information card for entry 7024935

Structure parameters

• Common name: Bis(ethoxypyrazine)dichlorocopper(ii)
• Chemical name: Bis(ethoxypyrazine)dichlorocopper(II)
• Formula: C12 H16 Cl2 Cu N4 O2
• Calculated formula: C12 H16 Cl2 Cu N4 O2
• SMILES: Cl[Cu]([n]1cc(ncc1)OCC)([n]1cc(ncc1)OCC)Cl
• 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: 3.8018 ± 0.0004 Å
• b: 8.0135 ± 0.0006 Å
• c: 12.2611 ± 0.0009 Å
• α: 89.61 ± 0.004°
• β: 86.245 ± 0.005°
• γ: 86.619 ± 0.005°
• Cell volume: 372.09 ± 0.06 ų
• Cell temperature: 123 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: 0.0515
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No