Information card for entry 7053392

Structure parameters

• Formula: C8 H5 Cl12 N10 P3
• Calculated formula: C8 H5 Cl12 N10 P3
• SMILES: ClP(Cl)(Cl)=Nc1nc2nc(nc3[nH+]c(nc(n1)n23)N=P(Cl)(Cl)Cl)N=P(Cl)(Cl)Cl.ClCCCl.[Cl-]
• Title of publication: Melem- and melamine-derived iminophosphoranes
• Authors of publication: Saplinova, Tatyana; Lehnert, Christian; Böhme, Uwe; Wagler, Jörg; Kroke, Edwin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1893
• a: 14.1973 ± 0.0002 Å
• b: 13.6585 ± 0.0002 Å
• c: 14.7835 ± 0.0003 Å
• α: 90°
• β: 111.938 ± 0.001°
• γ: 90°
• Cell volume: 2659.14 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No