Information card for entry 2015851

Structure parameters

• Chemical name: 4,4,6,6-tetrachlorocyclo-2,2-(2,2-dimethylpropane-1,3-dioxy)triphosphazene
• Formula: C5 H10 Cl4 N3 O2 P3
• Calculated formula: C5 H10 Cl4 N3 O2 P3
• SMILES: C1C(COP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)O1)(C)C
• Title of publication: Dimorphism in 4,4,6,6-tetrachloro-2,2-(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene and 6,6-dichloro-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)cyclotriphosphazene
• Authors of publication: Coles, Simon J.; Davies, David B.; Hacıvelioğlu, Ferda; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o152 - o156
• a: 7.9063 ± 0.0001 Å
• b: 9.6543 ± 0.0002 Å
• c: 10.7025 ± 0.0002 Å
• α: 70.771 ± 0.001°
• β: 71.47 ± 0.001°
• γ: 73.531 ± 0.001°
• Cell volume: 716.62 ± 0.02 ų
• Cell 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 significantly intense reflections: 0.0256
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes