Information card for entry 4511660

Structure parameters

• Common name: (4-BrPyH)2CuCl4
• Chemical name: 4-Bromopyridinium Tetrachlorocuprate(II)
• Formula: C10 H10 Br2 Cl4 Cu N2
• Calculated formula: C10 H10 Br2 Cl4 Cu N2
• SMILES: [Cu](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(Br)cc1.[nH+]1ccc(Br)cc1
• 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: 7.7752 ± 0.0009 Å
• b: 27.963 ± 0.003 Å
• c: 8.7233 ± 0.001 Å
• α: 90°
• β: 116.251 ± 0.007°
• γ: 90°
• Cell volume: 1701 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No