Information card for entry 2228939

Structure parameters

• Chemical name: 2,7-Dimethyl-2,7-diazoniapyrene bis(hexafluorophosphate)
• Formula: C16 H14 F12 N2 P2
• Calculated formula: C16 H14 F12 N2 P2
• SMILES: c12ccc3c4c(c[n+](c3)C)ccc(c14)c[n+](c2)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 2,7-Dimethyl-2,7-diazoniapyrene bis(hexafluorophosphate)
• Authors of publication: Ang, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o508
• a: 6.7654 ± 0.0014 Å
• b: 10.653 ± 0.002 Å
• c: 13.422 ± 0.003 Å
• α: 90°
• β: 91.03 ± 0.03°
• γ: 90°
• Cell volume: 967.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes