Information card for entry 4344876

Structure parameters

• Formula: C12 H8 Cu2 N4 S2
• Calculated formula: C12 H8 Cu2 N4 S2
• Title of publication: Two- and three-dimensional CuSCN co-ordination networks including new CuSCN structural motifs
• Authors of publication: Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Crew, Marcello; Hanton, Lyall R.; Hubberstey, Peter; Parsons, Simon; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2813 - 2817
• a: 8.257 ± 0.003 Å
• b: 21.694 ± 0.008 Å
• c: 3.7543 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 672.5 ± 0.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No