Information card for entry 4511661

Structure parameters

• Common name: 4-BrPyH)2CuBr4
• Chemical name: 4-Bromopyridinium Tetrabromocuprate(II)
• Formula: C10 H10 Br6 Cu N2
• Calculated formula: C10 H10 Br6 Cu N2
• SMILES: [Cu](Br)(Br)([Br-])[Br-].Brc1cc[nH+]cc1.c1cc(cc[nH+]1)Br
• 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: 16.904 ± 0.002 Å
• b: 7.7659 ± 0.0012 Å
• c: 14.0292 ± 0.0017 Å
• α: 90°
• β: 98.189 ± 0.01°
• γ: 90°
• Cell volume: 1822.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0979
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No