Information card for entry 4324783

Structure parameters

• Chemical name: triphenyl[(1,2λ^4^σ^3^,3-benzodithiazol-2-yl)imino]-λ^5^- phosphane
• Formula: C24 H19 N2 P S2
• Calculated formula: C24 H19 N2 P S2
• SMILES: S1S(=Nc2ccccc12)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.715 ± 0.005 Å
• b: 16.042 ± 0.009 Å
• c: 13.639 ± 0.007 Å
• α: 90°
• β: 93.66 ± 0.04°
• γ: 90°
• Cell volume: 2121 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No