Information card for entry 2012016

Structure parameters

• Common name: (dimethylquinoxalineH)2CuBr3
• Chemical name: Bis(dimethylquinoxalinium)tribrocuprate(I)
• Formula: C20 H22 Br3 Cu N4
• Calculated formula: C20 H22 Br3 Cu N4
• SMILES: [Cu](Br)([Br-])[Br-].[nH+]1c(c(nc2ccccc12)C)C.[nH+]1c(c(nc2ccccc12)C)C
• Title of publication: Bis(2,3-dimethylquinoxalinium) tribromocuprate(I)
• Authors of publication: Willett, Roger D.; Twamley, Brendan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 706 - 708
• a: 7.2603 ± 0.0016 Å
• b: 10.777 ± 0.002 Å
• c: 15.197 ± 0.003 Å
• α: 73.544 ± 0.004°
• β: 77.338 ± 0.004°
• γ: 83.827 ± 0.004°
• Cell volume: 1111.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes