Information card for entry 1519991

Structure parameters

• Formula: C9 H10 Cl4 N3 O2 P3
• Calculated formula: C9 H10 Cl4 N3 O2 P3
• SMILES: C1C(COP2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)O1)c1ccccc1
• Title of publication: C9H10Cl4N3O2P3
• 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: 486
• a: 23.2125 ± 0.0007 Å
• b: 9.1684 ± 0.0002 Å
• c: 7.6006 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1617.57 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No