Information card for entry 4330589

Structure parameters

• Formula: C43 H34 Fe N O4
• Calculated formula: C43 H34 Fe N O4
• 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: 16.0348 ± 0.0019 Å
• b: 16.1658 ± 0.0018 Å
• c: 13.0742 ± 0.0014 Å
• α: 90°
• β: 92.126 ± 0.004°
• γ: 90°
• Cell volume: 3386.7 ± 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: 0.1453
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No