Information card for entry 2205850

Structure parameters

• Chemical name: Bis[tetrakis(methylsulfanyl)tetrathiafulvalenium] oxalate dichloride
• Formula: C22 H24 Cl2 O4 S16
• Calculated formula: C22 H24 Cl2 O4 S16
• SMILES: C1(SC(=C(S1)SC)SC)=C1SC(=C(S1)SC)SC.[O-]C(=O)C(=O)[O-].[Cl-].C1(SC(=C(S1)SC)SC)=C1SC(=C(S1)SC)SC.[Cl-]
• Title of publication: Bis[tetrakis(methylsulfanyl)tetrathiafulvalenium] oxalate dichloride
• Authors of publication: Lei Wang; Jing-Ping Zhang; Bin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1674 - o1676
• a: 10.0277 ± 0.0002 Å
• b: 7.9202 ± 0.0002 Å
• c: 23.2669 ± 0.0006 Å
• α: 90°
• β: 90.985 ± 0.001°
• γ: 90°
• Cell volume: 1847.62 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes