Information card for entry 4335323

Structure parameters

• Formula: C30 H42 F6 Fe N10 O8 S2
• Calculated formula: C30 H42 F6 Fe N10 O8 S2
• Title of publication: Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands
• Authors of publication: Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7394 - 7410
• a: 8.6294 ± 0.0005 Å
• b: 10.7097 ± 0.0008 Å
• c: 11.4184 ± 0.0006 Å
• α: 65.829 ± 0.004°
• β: 88.557 ± 0.003°
• γ: 81.683 ± 0.002°
• Cell volume: 951.95 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No