Information card for entry 1519863

Structure parameters

• Formula: C12 H12 Cl8 N8 O P6
• Calculated formula: C12 H12 Cl8 N8 O P6
• SMILES: c1(ccccc1)NP1(=NP(=NP(=N1)(Cl)Cl)(Cl)Cl)OP1(Nc2ccccc2)=NP(=NP(=N1)(Cl)Cl)(Cl)Cl
• Title of publication: C12H12Cl8N8OP6
• Authors of publication: Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 303
• a: 14.6358 ± 0.0002 Å
• b: 16.3497 ± 0.0002 Å
• c: 12.3448 ± 0.0001 Å
• α: 90°
• β: 107.455 ± 0.001°
• γ: 90°
• Cell volume: 2817.98 ± 0.06 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: 0.0332
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No