Information card for entry 7719450

Structure parameters

• Formula: C48 H39 Fe2 N O6 P2 S2
• Calculated formula: C48 H39 Fe2 N O6 P2 S2
• Title of publication: Use of the 2,3-bis(diphenylphosphino)-<i>N</i>-phenylmaleimide ligand as a redox [Fe₄S₄] cubane surrogate in di-iron complexes related to [FeFe]-hydrogenases: influence of the dithiolate bridge on the redox behaviour.
• Authors of publication: Mele, Andrea; Arrigoni, Federica; Elleouet, Catherine; Pétillon, François Y; Schollhammer, Philippe; Zampella, Giuseppe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 40
• Pages of publication: 15188 - 15196
• a: 10.8576 ± 0.0003 Å
• b: 11.1524 ± 0.0003 Å
• c: 19.2488 ± 0.0005 Å
• α: 89.207 ± 0.002°
• β: 79.956 ± 0.002°
• γ: 72.988 ± 0.002°
• Cell volume: 2192.95 ± 0.11 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No