Information card for entry 7211040

Structure parameters

• Formula: C6 H8 K2 N6 O2 S6
• Calculated formula: C6 H8 K2 N6 O2 S6
• 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: 7.3438 ± 0.0004 Å
• b: 10.3247 ± 0.0004 Å
• c: 11.6813 ± 0.0005 Å
• α: 76.285 ± 0.003°
• β: 80.914 ± 0.004°
• γ: 87.551 ± 0.004°
• Cell volume: 849.64 ± 0.07 ų
• Cell temperature: 298.6 ± 0.2 K
• Ambient diffraction temperature: 298.6 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No