Information card for entry 2215766

Structure parameters

• Chemical name: Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(hexafluoridophosphate) monohydrate
• Formula: C52 H62 F12 Mn N8 O3 P2
• Calculated formula: C52 H62 F12 Mn N8 O3 P2
• Title of publication: Diaquatetrakis(1,3-di-4-pyridylpropane-κ<i>N</i>)manganese(II) bis(hexafluoridophosphate) monohydrate
• Authors of publication: Zheng, Xianfu; Niu, Caoyuan; Wan, Xinsheng; Kou, Chunhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2682 - m2683
• a: 19.1098 ± 0.0015 Å
• b: 16.1767 ± 0.0013 Å
• c: 38.158 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11795.9 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes