Information card for entry 2101951

Structure parameters

• Chemical name: Tetrakis(trichlorophosphazeno)phosphonium hexachlorophosphate
• Formula: Cl18 N4 P6
• Calculated formula: Cl18 N4 P6
• SMILES: ClP(Cl)(Cl)=N[P+](N=P(Cl)(Cl)Cl)(N=P(Cl)(Cl)Cl)N=P(Cl)(Cl)Cl.[Cl-][P](Cl)(Cl)(Cl)(Cl)Cl
• Title of publication: Structure and Motion of Tetrakis(trichlorophosphazeno)phosphonium Hexachlorophosphate, [P(NPCl~3~)~4~]^+^PCl~6~^{-^}, at 93 K
• Authors of publication: Belaj, F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 923 - 927
• a: 7.72 ± 0.002 Å
• b: 21.235 ± 0.005 Å
• c: 8.248 ± 0.002 Å
• α: 90°
• β: 91.12 ± 0.02°
• γ: 90°
• Cell volume: 1351.9 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections: 0.1274
• Weighted residual factors for significantly intense reflections: 0.1091
• Goodness-of-fit parameter for all reflections: 1.007
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No