Information card for entry 7063697

Structure parameters

• Formula: C109 H105 Cl3 F12 Fe3 N7 P8 Ru
• Calculated formula: C109 H105 Cl3 F12 Fe3 N7 P8 Ru
• Title of publication: A T-shaped cyanidometal-bridged tetranuclear Fe3Ru complex with oxidation-driven intramolecular charge transfer between metal centres
• Authors of publication: Wang, Hao; Liu, Xiao-Lin; Liu, Han; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 6595 - 6602
• a: 17.5721 ± 0.0003 Å
• b: 17.3121 ± 0.0002 Å
• c: 35.253 ± 0.0005 Å
• α: 90°
• β: 100.215 ± 0.001°
• γ: 90°
• Cell volume: 10554.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.15 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: 0.064
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No