Information card for entry 4069742

Structure parameters

• Formula: C11 H4 O5 S4 W
• Calculated formula: C11 H4 O5 S4 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[S]=C1SSc2c1c(cs2)C
• Title of publication: An Unexpected Sequence: From Phosphole Sulfide to Phosphole- and Thiophene-Annulated 1,2-Dithiole-3-thiones
• Authors of publication: Ciric, Ana; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4621
• a: 7.6224 ± 0.0004 Å
• b: 10.3544 ± 0.0006 Å
• c: 10.5713 ± 0.0006 Å
• α: 74.148 ± 0.002°
• β: 69.411 ± 0.002°
• γ: 75.033 ± 0.002°
• Cell volume: 739.06 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0194
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No