Information card for entry 7133380

Structure parameters

• Formula: C101.51 H98.26 Cl2 F6 Fe Mn N28.75 O6 S2
• Calculated formula: C95.508 H89.262 Cl2 F6 Fe Mn N25.754 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: 14.1048 ± 0.0002 Å
• b: 19.0576 ± 0.0003 Å
• c: 22.1206 ± 0.0003 Å
• α: 78.592 ± 0.001°
• β: 75.168 ± 0.001°
• γ: 71.179 ± 0.002°
• Cell volume: 5397.34 ± 0.15 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No