Information card for entry 2220176

Structure parameters

• Chemical name: Bis(ethylenedithio)tetrathiafulvalenium‒tetrachloridocobaltate(II) (3/2)
• Formula: C30 H24 Cl8 Co2 S24
• Calculated formula: C30 H24 Cl8 Co2 S24
• SMILES: C1CSC2=C(S1)SC(S2)=C1SC2=C(S1)SCCS2.S1CCSC2=C1SC(S2)=C1SC2=C(SCCS2)S1.Cl[Co](Cl)([Cl-])[Cl-].C1CSC2=C(S1)SC(S2)=C1SC2=C(S1)SCCS2.[Cl-][Co]([Cl-])(Cl)Cl
• Title of publication: Bis(ethylenedithio)tetrathiafulvalenium‒tetrachloridocobaltate(II) (3/2)
• Authors of publication: Zhao, Fuqi; Li, Ping; Zhu, Xiaohui; Dong, Lihua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1516
• a: 6.7904 ± 0.0019 Å
• b: 9.6402 ± 0.0018 Å
• c: 20.499 ± 0.004 Å
• α: 86.28 ± 0.014°
• β: 89.967 ± 0.019°
• γ: 78.456 ± 0.019°
• Cell volume: 1311.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2297
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes