Information card for entry 4322622

Structure parameters

• Formula: C69 H70 B2 Fe N4 O3
• Calculated formula: C69 H65 B2 Fe N4 O3
• 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: 17.525 ± 0.001 Å
• b: 19.15 ± 0.002 Å
• c: 17.703 ± 0.001 Å
• α: 90°
• β: 100.36 ± 0.01°
• γ: 90°
• Cell volume: 5844.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1217
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections: 0.2114
• Weighted residual factors for significantly intense reflections: 0.1818
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No