Information card for entry 7053393

Structure parameters

• Formula: C3 Cl9 N6 P3
• Calculated formula: C3 Cl9 N6 P3
• SMILES: ClP(Cl)(Cl)=Nc1nc(nc(n1)N=P(Cl)(Cl)Cl)N=P(Cl)(Cl)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: 10.2641 ± 0.0007 Å
• b: 11.7367 ± 0.0008 Å
• c: 15.4861 ± 0.0011 Å
• α: 80.333 ± 0.003°
• β: 80.019 ± 0.003°
• γ: 76.39 ± 0.003°
• Cell volume: 1769.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No