Information card for entry 7101178

Structure parameters

• Formula: C As Cl F6 N S3
• Calculated formula: C As Cl F6 N S3
• Title of publication: Characterisation of the thermally accessible spin triplet state in dimers of the 7π ClCNSSS+˙ in the solid state
• Authors of publication: Cameron, T. Stanley; Decken, Andreas; Kowalczyk, Radoslaw M.; McInnes, Eric J. L.; Passmore, Jack; Rawson, Jeremy M.; Shuvaev, Konstantin V.; Thompson, Laurence K.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 21
• Pages of publication: 2277 - 2279
• a: 7.836 ± 0.0005 Å
• b: 9.851 ± 0.002 Å
• c: 6.12 ± 0.01 Å
• α: 95.7 ± 0.7°
• β: 109.7 ± 0.5°
• γ: 89.33 ± 0.08°
• Cell volume: 442.5 ± 0.7 ų
• Cell temperature: 168.1 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: 0.0775
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No