Information card for entry 4310945

Structure parameters

• Formula: C0.5 H Cl12 N3 P4
• Calculated formula: Cl11 N3 P4
• SMILES: ClP(Cl)(Cl)=NP(Cl)(Cl)=N[P+](Cl)(Cl)N=P(Cl)(Cl)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: 14.9781 ± 0.0006 Å
• b: 11.2624 ± 0.0008 Å
• c: 14.9417 ± 0.001 Å
• α: 90°
• β: 115.594 ± 0.003°
• γ: 90°
• Cell volume: 2273.2 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1607
• Residual factor for significantly intense reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.2732
• Weighted residual factors for all reflections included in the refinement: 0.2917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No