Information card for entry 4331971

Structure parameters

• Formula: C88 H76 Fe6 N4 O31
• Calculated formula: C88 H60 Fe6 N4 O31
• Title of publication: Hexanuclear Iron(III) Salicylaldoximato Complexes Presenting the [Fe6(μ3-O)2(μ2-OR)2]12+Core: Syntheses, Crystal Structures, and Spectroscopic and Magnetic Characterization
• Authors of publication: Raptopoulou, Catherine P.; Boudalis, Athanassios K.; Sanakis, Yiannis; Psycharis, Vassilis; Clemente-Juan, Juan Modesto; Fardis, Michael; Diamantopoulos, George; Papavassiliou, George
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2317 - 2326
• a: 21.81 ± 0.01 Å
• b: 17.93 ± 0.01 Å
• c: 27.72 ± 0.01 Å
• α: 90°
• β: 111.7 ± 0.02°
• γ: 90°
• Cell volume: 10072 ± 8 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.2175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No