Information card for entry 2233478

Structure parameters

• Chemical name: 2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin- 2-yl)azanidyl]pyridinium
• Formula: C5 H5 Cl5 N5 P3
• Calculated formula: C5 H5 Cl5 N5 P3
• SMILES: ClP1(Cl)=NP(Cl)(=NP(Cl)(Cl)=N1)N=c1[nH]cccc1
• Title of publication: 2-[(2,4,4,6,6-Pentachloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-yl)azanidyl]pyridinium
• Authors of publication: Ahmed, Safaa A.; Haque, Rosenani A.; Zetty, Zulikha H.; Fun, Hoong-Kun; Loh, Wan-Sin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o306
• a: 8.8677 ± 0.0001 Å
• b: 14.7225 ± 0.0002 Å
• c: 12.3564 ± 0.0002 Å
• α: 90°
• β: 119.355 ± 0.001°
• γ: 90°
• Cell volume: 1406.05 ± 0.04 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0256
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes