Information card for entry 4503892

Structure parameters

• Common name: [4ClPy]2[CuBr4]
• Formula: C10 H10 Br4 Cl2 Cu N2
• Calculated formula: C10 H10 Br4 Cl2 Cu N2
• SMILES: Br[Cu](Br)([Br-])[Br-].Clc1cc[nH+]cc1.c1cc(cc[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: 17.01 ± 0.002 Å
• b: 7.6734 ± 0.0009 Å
• c: 13.8038 ± 0.0017 Å
• α: 90°
• β: 98.446 ± 0.01°
• γ: 90°
• Cell volume: 1782.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No