Information card for entry 7714382

Structure parameters

• Formula: C48.8 H75.6 Cl2 Fe2 N8 O17
• Calculated formula: C48.814 H75.628 Cl2 Fe2 N8 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: 13.2834 ± 0.0007 Å
• b: 15.3781 ± 0.0006 Å
• c: 28.2323 ± 0.0014 Å
• α: 90°
• β: 102.469 ± 0.002°
• γ: 90°
• Cell volume: 5631.1 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No