Information card for entry 2201531

Structure parameters

• Formula: C60 H56 F24 N4 O4 P4
• Calculated formula: C60 H56 F24 N4 O4 P4
• SMILES: c12cc(ccc2)c2ccc(cc2)C[n+]2ccc(cc2)c2cc[n+](cc2)Cc2ccc(cc2)c2cccc(c2)c2ccc(cc2)C[n+]2ccc(cc2)c2cc[n+](cc2)Cc2ccc1cc2.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O.O
• Title of publication: <i>cyclo</i>-Bis(paraquat-<i>m</i>-terphenylene) tetrakis(hexafluorophosphate) tetrahydrate
• Authors of publication: T. Ravishankar; K. Chinnakali; K. Srinivasan; P. Rajakumar; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1356 - o1358
• a: 11.7669 ± 0.0001 Å
• b: 16.03 ± 0.0002 Å
• c: 18.4544 ± 0.0002 Å
• α: 90°
• β: 116.089 ± 0.001°
• γ: 90°
• Cell volume: 3126.27 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.1127
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes