Information card for entry 4327553

Structure parameters

• Formula: C12 H14 Br3 Cl2 Cu N2
• Calculated formula: C12 H12 Br4 Cl2 N2
• Title of publication: Bromination of the 3-Chloroanilinium Cation: Structure of a Novel Two-Dimensional Copper(I) Bromide Lattice Prepared via In-Situ Redox Processes
• Authors of publication: Roger D. Willett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 966 - 971
• a: 10.52 ± 0.004 Å
• b: 8.4238 ± 0.0013 Å
• c: 10.502 ± 0.004 Å
• α: 90°
• β: 108.548 ± 0.012°
• γ: 90°
• Cell volume: 882.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No