Information card for entry 4305744

Structure parameters

• Formula: C30 H30 Fe N5 O7
• Calculated formula: C30 H30 Fe N5 O7
• SMILES: [Fe]123([n]4c(c5c(cccc5)O2)[nH]c2c4cccc2)([n]2c(c4c(cccc4)O3)[nH]c3c2cccc3)ON(=[O]1)=O.C(C)O.C(C)O
• Title of publication: Reversible Core-Interconversion of an Iron(III) Dihydroxo Bridged Complex
• Authors of publication: Athanassios K. Boudalis; Juan Modesto Clemente-Juan; Françoise Dahan; Vassilis Psycharis; Catherine P. Raptopoulou; Bruno Donnadieu; Yiannis Sanakis; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11314 - 11323
• a: 32.654 ± 0.007 Å
• b: 15.738 ± 0.007 Å
• c: 11.161 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5736 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No