Information card for entry 1516816

Structure parameters

• Common name: cyclotriphosphazene
• Formula: C19 H10 Cl4 N3 O6 P3
• Calculated formula: C19 H10 Cl4 N3 O6 P3
• SMILES: P12(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)Oc1c3ccccc3oc(=O)c1Cc1c(=O)oc3c(c1O2)cccc3
• Title of publication: Synthesis and characterization of dicoumarol substituted cyclotriphosphazenes
• Authors of publication: Gonul Yenilmez Ciftci; Esra Tanriverdi Ecik; Mustafa Bulut; Fatma Yuksel; Adem Kilic; Mahmut Durmus
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 106 - 112
• a: 7.6291 ± 0.0002 Å
• b: 10.2522 ± 0.0003 Å
• c: 16.241 ± 0.0005 Å
• α: 83.071 ± 0.001°
• β: 87.666 ± 0.002°
• γ: 69.357 ± 0.001°
• Cell volume: 1180.05 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No