Information card for entry 2006131

Structure parameters

• Formula: C12 H15 O2 S4 Sb
• Calculated formula: C12 H15 O2 S4 Sb
• SMILES: [Sb](SC(=S)OCC)(SC(=S)OCC)c1ccccc1
• Title of publication: Bis(ethylxanthato)phenylantimony(III)
• Authors of publication: Blake, Alexander J.; Pearson, Matthew; Sowerby, D. Bryan; Woodhead, Peter P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 583 - 585
• a: 5.795 ± 0.004 Å
• b: 9.059 ± 0.004 Å
• c: 16.081 ± 0.007 Å
• α: 84.24 ± 0.04°
• β: 84.2 ± 0.04°
• γ: 77.85 ± 0.05°
• Cell volume: 818.3 ± 0.8 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.0225
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0392
• Goodness-of-fit parameter for all reflections: 1.144
• Goodness-of-fit parameter for significantly intense reflections: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No