Information card for entry 2223704

Structure parameters

• Chemical name: 5-(4,5-Diiodo-1,3-dithiol-2-ylidene)-4',5'-bis(methylsulfanyl)-2,2'-bi-1,3- dithiole-4(5<i>H</i>)-thione
• Formula: C11 H6 I2 S9
• Calculated formula: C11 H6 I2 S9
• SMILES: C1(=C(I)SC(=C2C(=S)SC(=C3SC(=C(S3)SC)SC)S2)S1)I
• Title of publication: 5-(4,5-Diiodo-1,3-dithiol-2-ylidene)-4',5'-bis(methylsulfanyl)-2,2'-bi-1,3-dithiole-4(5<i>H</i>)-thione
• 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: o2831
• a: 29.54 ± 0.007 Å
• b: 5.3543 ± 0.0013 Å
• c: 25.163 ± 0.006 Å
• α: 90°
• β: 103.544 ± 0.003°
• γ: 90°
• Cell volume: 3869.3 ± 1.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes