Information card for entry 7211043

Structure parameters

• Formula: C3 H2 Cs N3 S3
• Calculated formula: C3 H2 Cs N3 S3
• Title of publication: Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals
• Authors of publication: Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9400
• a: 5.1031 ± 0.0003 Å
• b: 7.9838 ± 0.0006 Å
• c: 10.9408 ± 0.0006 Å
• α: 96.431 ± 0.005°
• β: 103.27 ± 0.005°
• γ: 104.265 ± 0.005°
• Cell volume: 413.7 ± 0.05 ų
• Cell temperature: 300 ± 0.14 K
• Ambient diffraction temperature: 300 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No