Information card for entry 4324786

Structure parameters

• Chemical name: triphenyl[(4,5,7-trifluoro-2λ^4^σ^3^,1,3-benzothiaselenazol- 2-yl)imino]-λ^5^-phosphane
• Formula: C24 H16 F3 N2 P S Se
• Calculated formula: C24 H16 F3 N2 P S Se
• SMILES: [Se]1S(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)=Nc2c(F)c(cc(c12)F)F
• Title of publication: Interaction of 1,3,2,4-Benzodithiadiazines and Their 1-Se Congeners with Ph3P and Some Properties of the Iminophosphorane Products
• Authors of publication: Alexander Yu. Makarov; Vladimir V. Zhivonitko; Arkady G. Makarov; Samat B. Zikirin; Irina Yu. Bagryanskaya; Victor A. Bagryansky; Yuri V. Gatilov; Irina G. Irtegova; Makhmut M. Shakirov; Andrey V. Zibarev
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3017 - 3027
• a: 22.3041 ± 0.0015 Å
• b: 9.0226 ± 0.0006 Å
• c: 21.9604 ± 0.0015 Å
• α: 90°
• β: 98.95 ± 0.003°
• γ: 90°
• Cell volume: 4365.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No