Information card for entry 2015852

Structure parameters

• Chemical name: 6,6-dichlorocyclo-2,2:4,4-bis(2,2-dimethylpropane-1,3-dioxy)triphosphazene
• Formula: C10 H20 Cl2 N3 O4 P3
• Calculated formula: C10 H20 Cl2 N3 O4 P3
• SMILES: C1C(C)(C)COP2(=NP3(=NP(=N2)(Cl)Cl)OCC(C)(C)CO3)O1
• 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: 11.7673 ± 0.0002 Å
• b: 9.2325 ± 0.0001 Å
• c: 16.3007 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1770.93 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes