Information card for entry 7133379

Structure parameters

• Formula: C96 H90 Cl2 F6 Fe2 N26 O6 S2
• Calculated formula: C96 H90 Cl2 F6 Fe2 N26 O6 S2
• Title of publication: Iron homo- and heterobimetallic complexes supported by a symmetrical dinucleating ligand.
• Authors of publication: Ríos, Pablo; See, Matthew S.; Gonzalez, Oscar; Handford, Rex C.; Nicolay, Amélie; Rao, Guodong; Britt, R. David; Bediako, D. Kwabena; Tilley, T. Don
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 67
• Pages of publication: 8912 - 8915
• a: 14.0576 ± 0.001 Å
• b: 19.146 ± 0.0014 Å
• c: 22.1777 ± 0.0016 Å
• α: 78.52 ± 0.003°
• β: 74.856 ± 0.003°
• γ: 72.035 ± 0.003°
• Cell volume: 5435.1 ± 0.7 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No