Information card for entry 4322625

Structure parameters

• Formula: C26 H27 F6 Fe N7 O6 S2
• Calculated formula: C26 H24 F6 Fe N7 O6 S2
• Title of publication: Iron(II) Polyamine Chemistry: Variation of Spin State and Coordination Number in Solid State and Solution with Iron(II) Tris(2-pyridylmethyl)amine Complexes
• Authors of publication: Alain Diebold; Karl S. Hagen
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 215 - 223
• a: 12.418 ± 0.002 Å
• b: 16.192 ± 0.004 Å
• c: 15.855 ± 0.002 Å
• α: 90°
• β: 92.09 ± 0.02°
• γ: 90°
• Cell volume: 3185.9 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.1044
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No