Information card for entry 1574936

Structure parameters

• Common name: 5,5-Bis{<i>N</i>-(4-pyridyl)methylcarbamoyl}-2,2-bipyridine bis[hexafluoridophosphate(V)] acetonitrile disolvate
• Chemical name: 4,4'-{[(2,2'-Bipyridine)-5,5'-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate
• Formula: C28 H28 F12 N8 O2 P2
• Calculated formula: C28 H28 F11.9952 N8 O2 P2
• Title of publication: 4,4′-{[(2,2′-Bipyridine)-5,5′-dicarbonyl]bis(azanediyl)}bis(1-methylpyridin-1-ium) bis[hexafluoridophosphate(V)] acetonitrile disolvate
• Authors of publication: Sueyoshi, Fumika; Sakai, Ken
• Journal of publication: IUCrData
• Year of publication: 2025
• Journal volume: 10
• Journal issue: 6
• Pages of publication: x250517
• a: 7.7661 ± 0.0002 Å
• b: 8.1535 ± 0.0003 Å
• c: 13.3262 ± 0.0005 Å
• α: 93.392 ± 0.003°
• β: 102.488 ± 0.003°
• γ: 95.435 ± 0.003°
• Cell volume: 817.4 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1229
• 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: Yes
• Has Fobs: No