Information card for entry 7245938

Structure parameters

• Formula: C10 H4 N4 S5
• Calculated formula: C10 H4 N4 S5
• Title of publication: New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes
• Authors of publication: Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 3
• Pages of publication: 391 - 402
• a: 6.6346 ± 0.0004 Å
• b: 13.3837 ± 0.0008 Å
• c: 15.6515 ± 0.0009 Å
• α: 88.032 ± 0.002°
• β: 86.315 ± 0.002°
• γ: 79.276 ± 0.003°
• Cell volume: 1362.33 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No