Information card for entry 2218259

Structure parameters

• Chemical name: Tris[2-(deuteriomethylsulfanyl)phenyl]phosphine deuteriochloroform 0.125-solvate
• Formula: C21.125 H12 Cl0.375 D9.125 P S3
• Calculated formula: C21.1275 H21.1275 Cl0.3825 P S3
• Title of publication: Tris[2-(deuteriomethylsulfanyl)phenyl]phosphine deuteriochloroform 0.125-solvate
• Authors of publication: Wong, Richard Chee Seng; Ooi, Mei Lee; Sakurai, Hidehiro; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o898
• a: 23.09 ± 0.001 Å
• b: 23.09 Å
• c: 25.144 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11609.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes