Information card for entry 4508749

Structure parameters

• Common name: CuBr2(2-BrPy)2
• Formula: C10 H8 Br4 Cu N2
• Calculated formula: C10 H8 Br4 Cu N2
• SMILES: [Cu]12([n]3c(cccc3)[Br]1)([n]1c(cccc1)[Br]2)(Br)Br
• Title of publication: The Electrostatic Nature of Aryl−Bromine−Halide Synthons: The Role of Aryl−Bromine−Halide Synthons in the Crystal Structures of thetrans-Bis(2-bromopyridine)dihalocopper(II) andtrans-Bis(3-bromopyridine)dihalocopper(II) Complexes
• Authors of publication: Awwadi, Firas F.; Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1833
• a: 6.0656 ± 0.0012 Å
• b: 7.3703 ± 0.0015 Å
• c: 8.6387 ± 0.0017 Å
• α: 100.94 ± 0.03°
• β: 95.16 ± 0.03°
• γ: 112.1 ± 0.03°
• Cell volume: 345.75 ± 0.16 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0362
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No