Information card for entry 4503889

Structure parameters

• Common name: [2ClPy]2[CuBr4]
• Formula: C10 H10 Br4 Cl2 Cu N2
• Calculated formula: C10 H10 Br4 Cl2 Cu N2
• SMILES: Br[Cu](Br)([Br-])[Br-].c1(cccc[nH+]1)Cl.c1(cccc[nH+]1)Cl
• Title of publication: The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions
• Authors of publication: Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 624
• a: 15.065 ± 0.0012 Å
• b: 9.0869 ± 0.0007 Å
• c: 14.4778 ± 0.0011 Å
• α: 90°
• β: 117.967 ± 0.001°
• γ: 90°
• Cell volume: 1750.5 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No