Information card for entry 7714380

Structure parameters

• Formula: C50 H84 Cl2 Fe2 N8 O17
• Calculated formula: C50 H84 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: 25.2522 ± 0.0009 Å
• b: 15.5311 ± 0.0005 Å
• c: 16.9805 ± 0.0005 Å
• α: 90°
• β: 118.761 ± 0.001°
• γ: 90°
• Cell volume: 5838.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No