Information card for entry 1566032

Structure parameters

• Formula: C37 H51 Fe2 K N2 O9 P2
• Calculated formula: C37 H51 Fe2 K N2 O9 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: 8.9778 ± 0.0005 Å
• b: 14.3123 ± 0.0007 Å
• c: 17.4153 ± 0.001 Å
• α: 80.797 ± 0.004°
• β: 83.74 ± 0.003°
• γ: 76.749 ± 0.002°
• Cell volume: 2144 ± 0.2 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: 0.1328
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No