Information card for entry 2206097

Structure parameters

• Chemical name: 4',4',6',6'-Tetrachloro-3-(4,6-dimethylpyridin-2-yl)-3,4-dihydrospiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]
• Formula: C14 H14 Cl4 N5 O P3
• Calculated formula: C14 H14 Cl4 N5 O P3
• SMILES: ClP1(Cl)=NP(Cl)(Cl)=NP2(Oc3ccccc3CN2c2nc(cc(c2)C)C)=N1
• Title of publication: 4',4',6',6'-Tetrachloro-3-(4,6-dimethylpyridin-2-yl)-3,4-dihydrospiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]
• Authors of publication: Çaylak, Nagihan; Hökelek, Tuncer; Büyükgüngör, Orhan; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1557 - o1560
• a: 7.931 ± 0.0005 Å
• b: 11.9091 ± 0.001 Å
• c: 21.3948 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2020.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes