Information card for entry 2012381

Structure parameters

• Chemical name: 4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)- 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine
• Formula: C5 H10 Cl4 N3 O2 P3
• Calculated formula: C5 H10 Cl4 N3 O2 P3
• SMILES: P12(OCC(CO1)(C)C)=NP(Cl)(Cl)=NP(Cl)(Cl)=N2
• Title of publication: 4,4,6,6-Tetrachloro-2,2-(2,2-dimethylpropane-1,3-diyldioxy)-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine
• Authors of publication: Kumar, N. Satish; Kumara Swamy, K. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1421 - 1422
• a: 12.106 ± 0.002 Å
• b: 7.708 ± 0.002 Å
• c: 15.776 ± 0.002 Å
• α: 90°
• β: 93.997 ± 0.01°
• γ: 90°
• Cell volume: 1468.5 ± 0.5 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: 0.036
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes