Information card for entry 7009743

Structure parameters

• Formula: C20 H20 Fe N14 O6
• Calculated formula: C20 H20 Fe N14 O6
• Title of publication: Structures and spectra of bis-tripodal iron(II) chelates, [FeL2]2+, where L = tris(pyrazol-1-yl)methane, tris(pyridin-2-yl)methane, bis(pyrazol-1-yl)(pyridin-2-yl)methane and tris(pyridin-2-yl)phosphine oxide. Magnetism and spin crossover in the (pz)3CH case
• Authors of publication: Anderson, Peter A.; Astley, Timothy; Hitchman, Michael A.; Keene, F. Richard; Moubaraki, Boujemaa; Murray, Keith S.; Skelton, Brian W.; Tiekink, Edward R. T.; Toftlund, Hans; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 20
• Pages of publication: 3505
• a: 9.716 ± 0.003 Å
• b: 7.74 ± 0.002 Å
• c: 17.28 ± 0.006 Å
• α: 90°
• β: 101.67 ± 0.03°
• γ: 90°
• Cell volume: 1272.6 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections: 1.457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No