Information card for entry 4330594

Structure parameters

• Formula: C44 H35 Fe N2 O3
• Calculated formula: C44 H35 Fe N2 O3
• Title of publication: Reactivity Control in Iron(III) Amino Triphenolate Complexes: Comparison of Monomeric and Dimeric Complexes
• Authors of publication: Christopher J. Whiteoak; Blerina Gjoka; Eddy Martin; Marta Martínez Belmonte; Eduardo C. Escudero-Adán; Cristiano Zonta; Giulia Licini; Arjan W. Kleij
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10639 - 10649
• a: 16.14 ± 0.002 Å
• b: 16.58 ± 0.002 Å
• c: 12.8255 ± 0.0016 Å
• α: 90°
• β: 91.774 ± 0.004°
• γ: 90°
• Cell volume: 3430.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No