Information card for entry 7101177

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: 7.964 ± 0.006 Å
• b: 9.9 ± 0.003 Å
• c: 6.147 ± 0.005 Å
• α: 95.32 ± 0.04°
• β: 109.05 ± 0.05°
• γ: 88.83 ± 0.04°
• Cell volume: 456.1 ± 0.5 ų
• Cell temperature: 353.1 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: 0.1237
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No