Information card for entry 8102647

Structure parameters

• Chemical name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl) -propan-2-ol (HFlu) and 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-2- imidazolin-2-yl) nicotinic acid (IMaz) -manganese(II) [Mn(IMaz)~2~(HFlu)~2~]
• Formula: C56 H64 F4 Mn N18 O8
• Calculated formula: C56 H60 F4 Mn N18 O8
• Title of publication: Crystal structure of bis[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol]-bis[5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)- nicotinato]manganese(II), Mn(C13H12F2N6O)2(C15H18N3O3)2
• Authors of publication: Yue Zhuang; Xian-Hong Yin; Peng-Fei Li; Shan-Shan Zhang; Fei-Long Hu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 213
• a: 9.745 ± 0.0006 Å
• b: 11.2747 ± 0.0006 Å
• c: 15.2325 ± 0.0008 Å
• α: 79.072 ± 0.004°
• β: 78.248 ± 0.004°
• γ: 65.073 ± 0.003°
• Cell volume: 1475.73 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0641
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No