Information card for entry 1566031

Structure parameters

• Formula: C36 H45 Fe2 N2 O5 P2
• Calculated formula: C36 H45 Fe2 N2 O5 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: 9.2797 ± 0.0004 Å
• b: 23.4414 ± 0.0012 Å
• c: 16.6539 ± 0.0008 Å
• α: 90°
• β: 95.972 ± 0.002°
• γ: 90°
• Cell volume: 3603 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No