Information card for entry 2019885

Structure parameters

• Chemical name: Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) acetone monosolvate
• Formula: C43 H34 F12 Mn N8 O P2
• Calculated formula: C43 H34 F12 Mn N8 O P2
• Title of publication: Crystal structures of the water and acetone monosolvates of bis[4′-(pyridin-4-yl)-2,2′:6′,2′′-terpyridine]manganese(II) bis(hexafluoridophosphate)
• Authors of publication: Lourenço, Leandro M. O.; Almeida Paz, Filipe A.; Fernandes, José A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 330
• a: 18.0996 ± 0.0015 Å
• b: 27.47 ± 0.002 Å
• c: 8.5734 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4262.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1446
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes