Information card for entry 2019884

Structure parameters

• Chemical name: Bis[4'-(pyridin-4-yl)-2,2':6',2''-terpyridine]manganese(II) bis(hexafluoridophosphate) monohydrate
• Formula: C40 H30 F12 Mn N8 O P2
• Calculated formula: C40 H28 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: 16.2389 ± 0.0005 Å
• b: 15.3506 ± 0.0005 Å
• c: 16.5549 ± 0.0005 Å
• α: 90°
• β: 99.3892 ± 0.0017°
• γ: 90°
• Cell volume: 4071.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1174
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes