Information card for entry 4344878

Structure parameters

• Formula: C6 H4 Cu2 N4 S2
• Calculated formula: C6 H4 Cu2 N4 S2
• Title of publication: A new CuI(SCN) structural motif: synthesis of an uncharged three-dimensional co-ordination network
• Authors of publication: Blake, Alexander J.; Champness, Neil R.; Crew, Marcello; Hanton, Lyall R.; Parsons, Simon; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)
• Year of publication: 1998
• Journal issue: 10
• Pages of publication: 1533 - 1534
• a: 5.792 ± 0.002 Å
• b: 13.877 ± 0.004 Å
• c: 6.548 ± 0.002 Å
• α: 90°
• β: 113.95 ± 0.02°
• γ: 90°
• Cell volume: 481 ± 0.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1229
• Weighted residual factors for significantly intense reflections: 0.1217
• Goodness-of-fit parameter for all reflections: 1.123
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No