Information card for entry 1519807

Structure parameters

• Formula: C9 H18 Cl4 N3 O2 P3
• Calculated formula: C9 H18 Cl4 N3 O2 P3
• SMILES: C1C(COP2(=NP(=NP(=N2)(Cl)Cl)(O1)Cl)Cl)(CC)CCCC
• Title of publication: C9H18Cl4N3O2P3
• Authors of publication: Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 318
• a: 8.2012 ± 0.0001 Å
• b: 9.0665 ± 0.0001 Å
• c: 12.8131 ± 0.0001 Å
• α: 83.344 ± 0.001°
• β: 84.013 ± 0.001°
• γ: 72.53 ± 0.001°
• Cell volume: 900.23 ± 0.017 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction 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 all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No