Information card for entry 4327555

Structure parameters

• Formula: C6 H5 Br4 Cl Cu N
• Calculated formula: C6 H5 Br3.981 Cl Cu N
• 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: 7.2177 ± 0.0002 Å
• b: 29.7188 ± 0.0003 Å
• c: 10.9309 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2344.69 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No