Information card for entry 4060151

Structure parameters

• Formula: C23 H22 O P2 S2
• Calculated formula: C23 H22 O P2 S2
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 12.1134 ± 0.0006 Å
• b: 12.2035 ± 0.0006 Å
• c: 15.6203 ± 0.0008 Å
• α: 90°
• β: 112.104 ± 0.003°
• γ: 90°
• Cell volume: 2139.37 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No