Information card for entry 7029603

Structure parameters

• Formula: C24 H30 F6 Fe N6 O8 S2
• Calculated formula: C24 H30 F6 Fe N6 O8 S2
• Title of publication: Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.
• Authors of publication: Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 6769 - 6785
• a: 7.0198 ± 0.0006 Å
• b: 18.956 ± 0.002 Å
• c: 11.9392 ± 0.0007 Å
• α: 90°
• β: 107.114 ± 0.003°
• γ: 90°
• Cell volume: 1518.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No