Information card for entry 4314510

Structure parameters

• Common name: 2(C9 H8 N), Br4 Cu, 2(H2 O)
• Chemical name: bis(quinolinium) tetrabromocuprate dihydrate
• Formula: C18 H20 Br4 Cu N2 O2
• Calculated formula: C18 H20 Br4 Cu N2 O2
• SMILES: c1ccc2ccccc2[nH+]1.O.Br[Cu](Br)([Br-])[Br-].c1ccc2ccccc2[nH+]1.O
• 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: 12.3323 ± 0.0007 Å
• b: 9.7972 ± 0.0006 Å
• c: 18.6504 ± 0.0011 Å
• α: 90°
• β: 100.322 ± 0.001°
• γ: 90°
• Cell volume: 2216.9 ± 0.2 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No