Information card for entry 1519989

Structure parameters

• Formula: C4 H8 Cl4 N3 O2 P3
• Calculated formula: C4 H8 Cl4 N3 O2 P3
• SMILES: C1C(C)COP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)O1
• Title of publication: C4H8Cl4N3O2P3
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2008
• Pages of publication: 484
• a: 14.8296 ± 0.0009 Å
• b: 6.0926 ± 0.0003 Å
• c: 15.4113 ± 0.0012 Å
• α: 90°
• β: 109.5 ± 0.003°
• γ: 90°
• Cell volume: 1312.56 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No