Information card for entry 7714383

Structure parameters

• Formula: C50 H75 Cl2 Fe2 N9 O17
• Calculated formula: C50 H75 Cl2 Fe2 N9 O17
• Title of publication: Direct and Remote Control on Electronic Structures and Redox Potentials in μ-Oxo Diferric Complexes
• Authors of publication: Finke, Sebastian; Stammler, Anja; Oldengott, Jan; Walleck, Stephan; Glaser, Thorsten
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.5346 ± 0.0008 Å
• b: 13.2801 ± 0.0006 Å
• c: 22.9179 ± 0.0011 Å
• α: 90°
• β: 103.358 ± 0.002°
• γ: 90°
• Cell volume: 5784.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No