Information card for entry 2224043

Structure parameters

• Chemical name: (5<i>E</i>)-2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4-iodo-1,3- dithiol-2-ylidene)-1,3-dithiolan-4-one
• Formula: C11 H7 I O S8
• Calculated formula: C11 H7 I O S8
• SMILES: C1(=CS/C(=C2/C(=O)SC(S2)=C2SC(=C(S2)SC)SC)S1)I
• Title of publication: (5<i>E</i>)-2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4-iodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-one
• Authors of publication: Ueda, Kazumasa; Yoza, Kenji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2920
• a: 8.309 ± 0.003 Å
• b: 8.344 ± 0.003 Å
• c: 14.618 ± 0.007 Å
• α: 90.851 ± 0.006°
• β: 105.132 ± 0.006°
• γ: 118.51 ± 0.004°
• Cell volume: 848 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.07
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes