Information card for entry 4319786

Structure parameters

• Formula: C48 H50 N8 P2
• Calculated formula: C48 H50 N8 P2
• SMILES: Cc1c(c(cc(C)c1)C)c1cccc(c1P1(=NP(=N1)(N=N#N)c1c(c2c(cc(C)cc2C)C)cccc1c1c(cc(cc1C)C)C)N=N#N)c1c(cc(cc1C)C)C
• Title of publication: Reaction of m-Terphenyldichlorophosphanes with Sodium Azide: Synthesis and Characterization of Stable Azidocyclophosphazenes
• Authors of publication: Rudolf J. Wehmschulte; Masood A. Khan; Shawn I. Hossain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2756 - 2762
• a: 10.874 ± 0.003 Å
• b: 10.767 ± 0.003 Å
• c: 18.868 ± 0.004 Å
• α: 90°
• β: 101.555 ± 0.012°
• γ: 90°
• Cell volume: 2164.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No