Information card for entry 2004800

Structure parameters

• Formula: C3 H9 Br0.962 Cd Cl2.038 O S
• Calculated formula: C3 H9 Cd Cl3 O S
• Title of publication: Trimethyloxosulfonium Salts. IX. Study of some Mixed Compounds, (CH~3~)~3~SOCdCl~3{-~<i>x</i>}Br~<i>x~</i>
• Authors of publication: De Brauer, C.; Kolinsky, C.; Jannin, M.; Puget, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 812 - 817
• a: 6.765 ± 0.001 Å
• b: 10.304 ± 0.002 Å
• c: 13.544 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 944.1 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0107
• Weighted residual factors for significantly intense reflections: 0.012
• Goodness-of-fit parameter for significantly intense reflections: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No