Information card for entry 7133376

Structure parameters

• Formula: C82 H88 Cl F18 Fe2 N19 O16 S6
• Calculated formula: C82 H88 Cl F18 Fe2 N19 O16 S6
• 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: 17.5489 ± 0.0005 Å
• b: 15.0572 ± 0.0005 Å
• c: 36.9438 ± 0.0011 Å
• α: 90°
• β: 94.949 ± 0.001°
• γ: 90°
• Cell volume: 9725.5 ± 0.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No