Information card for entry 4511659

Structure parameters

• Common name: (3-BrPyH)2CuBr4)
• Chemical name: 3-Bromopyridinium Tetrabromocuprate(II)
• Formula: C10 H10 Br6 Cu N2
• Calculated formula: C10 H10 Br6 Cu N2
• SMILES: Br[Cu](Br)([Br-])[Br-].[nH+]1cc(ccc1)Br.Brc1c[nH+]ccc1
• Title of publication: The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
• Authors of publication: Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 301
• a: 6.501 ± 0.002 Å
• b: 8.573 ± 0.003 Å
• c: 16.192 ± 0.006 Å
• α: 89.76 ± 0.07°
• β: 89.67 ± 0.09°
• γ: 78.7 ± 0.08°
• Cell volume: 884.9 ± 0.6 ų
• Cell temperature: 81 ± 2 K
• Ambient diffraction temperature: 81 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No