Information card for entry 7245939

Structure parameters

• Formula: C18 H8 N8 S8 Te2
• Calculated formula: C18 H8 N8 S8 Te2
• 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: 7.5481 ± 0.0002 Å
• b: 7.7702 ± 0.0002 Å
• c: 12.5117 ± 0.0003 Å
• α: 74.645 ± 0.001°
• β: 85.362 ± 0.002°
• γ: 69.681 ± 0.001°
• Cell volume: 663.54 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0248
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No