Information card for entry 4332277

Structure parameters

• Common name: phosphine sulfide
• Chemical name: Diphenyl[2-(1-phenylhydrazo)phenyl]phosphine sulfide
• Formula: C24 H21 N2 P S
• Calculated formula: C24 H21 N2 P S
• SMILES: P(=S)(c1ccccc1NNc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Systematic Study on the Structures and Reactivity of Hydrazobenzenes and Azobenzenes Bearing a Chalcogenophosphoryl Group
• Authors of publication: Yamamura, Masaki; Kano, Naokazu; Kawashima, Takayuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6497 - 6507
• a: 11.418 ± 0.005 Å
• b: 7.589 ± 0.003 Å
• c: 23.392 ± 0.01 Å
• α: 90°
• β: 90.4546 ± 0.0016°
• γ: 90°
• Cell volume: 2026.9 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No