Information card for entry 4310943

Structure parameters

• Formula: C H2 Cl11 N2 P3
• Calculated formula: C H2 Cl11 N2 P3
• SMILES: [Cl-].ClP(Cl)(Cl)=N[P+](Cl)(Cl)N=P(Cl)(Cl)Cl.C(Cl)Cl
• Title of publication: A New, Convenient Synthesis of the Linear Phosphazene Salt [Cl3PNPCl3]Cl: Preparation of Higher Linear Homologues [Cl3PN-(PCl2N)xPCl3]Cl (x= 1-3) and the 16-Membered Macrocycle [NCCl(NPCl2)3]2
• Authors of publication: Eric Rivard; Alan J. Lough; Ian Manners
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2765 - 2767
• a: 10.6846 ± 0.0004 Å
• b: 12.6603 ± 0.0005 Å
• c: 12.9849 ± 0.0003 Å
• α: 90°
• β: 96.761 ± 0.002°
• γ: 90°
• Cell volume: 1744.26 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No