Information card for entry 1573233

Structure parameters

• Formula: C14 H5 As O5 S2 W
• Calculated formula: C14 H5 As O5 S2 W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[As]1=c2sccc2=Cc2ccsc12
• Title of publication: Dithienoarsinines: stable and planar π-extended arsabenzenes.
• Authors of publication: Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1126 - 1135
• a: 7.312 ± 0.0005 Å
• b: 10.1653 ± 0.0008 Å
• c: 11.2954 ± 0.0008 Å
• α: 92.355 ± 0.006°
• β: 106.909 ± 0.006°
• γ: 100.48 ± 0.006°
• Cell volume: 785.92 ± 0.1 ų
• Cell temperature: 256 K
• Ambient diffraction temperature: 256 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.2985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No