Information card for entry 7027412

Structure parameters

• Common name: Tri(copper(i) iodide) triazine
• Chemical name: 1,3,5-triazine tris(copper(I) iodide)
• Formula: C3 H3 Cu3 I3 N3
• Calculated formula: C3 H3 Cu3 I3 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: 6.913 ± 0.004 Å
• b: 9.777 ± 0.005 Å
• c: 15.75 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1064.5 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No