Information card for entry 1566030

Structure parameters

• Formula: C31 H43 Fe2 K N2 O6 P2
• Calculated formula: C31 H43 Fe2 K N2 O6 P2
• Title of publication: Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes
• Authors of publication: van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 24.953 ± 0.0008 Å
• b: 10.2928 ± 0.0004 Å
• c: 28.5081 ± 0.0009 Å
• α: 90°
• β: 106.275 ± 0.001°
• γ: 90°
• Cell volume: 7028.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No