Information card for entry 2014034

Structure parameters

• Chemical name: 4,4,6,6-Tetrachlorocyclo-2,2-(propylenedioxydi-o-phenylenediimino)- 2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine
• Formula: C15 H16 Cl4 N5 O2 P3
• Calculated formula: C15 H16 Cl4 N5 O2 P3
• SMILES: P1(Cl)(Cl)=NP(Cl)(Cl)=NP2(=N1)Nc1ccccc1OCCCOc1ccccc1N2
• Title of publication: 4,4,6,6-Tetrachloro-2,2-(propylenedioxydi-<i>o</i>-phenylenediimino)-2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene
• Authors of publication: Tercan, Barış; Hökelek, Tuncer; Bilge, Selen; Özgüç, Bilgehan; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o381 - o383
• a: 7.7094 ± 0.0006 Å
• b: 22.404 ± 0.002 Å
• c: 12.696 ± 0.0014 Å
• α: 90°
• β: 93.751 ± 0.007°
• γ: 90°
• Cell volume: 2188.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes