Information card for entry 1519840

Structure parameters

• Formula: C3 H6 Cl4 N3 O2 P3
• Calculated formula: C3 H6 Cl4 N3 O2 P3
• SMILES: C1CCOP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)O1
• Title of publication: 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclotriphosphazene
• Authors of publication: Kilic, A.; Odlyha, M.; Uslu, A.; Davies, David B.; Shaw, R.A.; Light, Mark E.; Coles, Simon J.; Huth, Susanne. L.; Hursthouse, Michael B.; Rutherford, J.S.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 300
• a: 13.4804 ± 0.0014 Å
• b: 10.6442 ± 0.0009 Å
• c: 8.8479 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1269.6 ± 0.2 ų
• Cell temperature: 274 ± 2 K
• Ambient diffraction temperature: 274 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No