Information card for entry 2014216

Structure parameters

• Chemical name: 4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]
• Formula: C13 H12 Cl4 N5 O P3
• Calculated formula: C13 H12 Cl4 N5 O P3
• SMILES: ClP1(Cl)=NP(Cl)(Cl)=NP2(Oc3c(CN2c2nc(C)ccc2)cccc3)=N1
• Title of publication: 4',4',6',6'-Tetrachloro-3,4-dihydro-3-(6-methylpyridin-2-yl)spiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]
• Authors of publication: Tercan, Barış; Hökelek, Tuncer; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o639 - o641
• a: 8.9834 ± 0.0001 Å
• b: 9.511 ± 0.0002 Å
• c: 11.9857 ± 0.0002 Å
• α: 82.131 ± 0.002°
• β: 87.598 ± 0.001°
• γ: 81.992 ± 0.002°
• Cell volume: 1004.26 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes