Information card for entry 2015853

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)(COP2(=NP(=NP3(=N2)OCC(C)(C)CO3)(Cl)Cl)O1)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: 18.0604 ± 0.0004 Å
• b: 8.321 ± 0.0001 Å
• c: 11.8528 ± 0.0003 Å
• α: 90°
• β: 99.955 ± 0.001°
• γ: 90°
• Cell volume: 1754.43 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes