Information card for entry 4314509

Structure parameters

• Chemical name: bis(quinolinium) tetrabromocuprate
• Formula: C18 H16 Br4 Cu N2
• Calculated formula: C18 H16 Br4 Cu N2
• SMILES: [Cu](Br)(Br)([Br-])[Br-].[nH+]1cccc2ccccc12.[nH+]1cccc2ccccc12
• Title of publication: Crystal Structure and Magnetism of a Well Isolated 2D-Quantum Heisenberg Antiferromagnet, (Quinolinium)2CuBr4.2H2O, and Its Anhydrous Form
• Authors of publication: Robert T. Butcher; Mark M. Turnbull; Christopher P. Landee; Alex Shapiro; Fan Xiao; David Garrett; Ward T. Robinson; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 427 - 434
• a: 7.6738 ± 0.0002 Å
• b: 8.949 ± 0.0002 Å
• c: 16.3254 ± 0.0005 Å
• α: 78.711 ± 0.001°
• β: 83.454 ± 0.001°
• γ: 71.745 ± 0.001°
• Cell volume: 1042.42 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No