Information card for entry 4332280

Structure parameters

• Common name: phosphine sulfide
• Chemical name: Diphenyl[2-(phenylazo)phenyl]phosphine sulfide
• Formula: C24 H19 N2 P S
• Calculated formula: C24 H19 N2 P S
• SMILES: P(=S)(c1ccccc1N=Nc1ccccc1)(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: 9.171 ± 0.003 Å
• b: 14.59 ± 0.005 Å
• c: 15.752 ± 0.005 Å
• α: 90°
• β: 101.126 ± 0.0016°
• γ: 90°
• Cell volume: 2068.1 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No