Information card for entry 7027411

Structure parameters

• Common name: Tris(copper bromide) triazine
• Chemical name: Tris(copper bromide) 1,3,5-triazine
• Formula: C3 H3 Br3 Cu3 N3
• Calculated formula: C3 H3 Br3 Cu3 N3
• Title of publication: Controlling copper(I) halide framework formation using N-donor bridging ligand symmetry: use of 1,3,5-triazine to construct architectures with threefold symmetry
• Authors of publication: Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cooke, Paul A.; Deveson, Anne M.; Fenske, Dieter; Hubberstey, Peter; Li, Wan-Sheung; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2103
• a: 16.096 ± 0.003 Å
• b: 6.518 ± 0.0013 Å
• c: 18.01 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1889.5 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No