Information card for entry 2008397

Structure parameters

• Chemical name: Caesium 5-(2-cyanoethylthio)-1,3-dithiole-2-thione-4-thiolate
• Formula: C6 H4 Cs N S5
• Calculated formula: C6 H4 Cs N S5
• Title of publication: Caesium 5-(2-cyanoethylthio)-2-thioxo-1,3-dithiole-4-thiolate
• Authors of publication: Simonsen, Klaus B.; Simonsen, Ole; Becher, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 547 - 549
• a: 4.76 ± 0.001 Å
• b: 26.181 ± 0.005 Å
• c: 9.62 ± 0.002 Å
• α: 90°
• β: 92.86 ± 0.0005°
• γ: 90°
• Cell volume: 1197.4 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.046
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.315
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for all reflections: 8.19
• Goodness-of-fit parameter for significantly intense reflections: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No