Information card for entry 7061412

Structure parameters

• Formula: C58 H57 B Cl3 F4 N5 P2 Ru2
• Calculated formula: C58 H57 B Cl3 F4 N5 P2 Ru2
• SMILES: [Ru]12(Cl)([N]#C[Ru]34567([P](c8ccccc8)(c8ccccc8)CC[P]3(c3ccccc3)c3ccccc3)[c]3([c]5([c]7([c]4([c]63C)C)C)C)C)([n]3c(cccc3)c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: A Class III asymmetric binuclear cyanido-bridged mixed-valence complex
• Authors of publication: Liu, Xiao-Lin; Li, Yi; Xu, Qing-Dou; Wei, Zi-Qin; Wu, Xin-Tao; Sheng, Tian-Lu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7922 - 7927
• a: 11.0409 ± 0.0003 Å
• b: 12.7863 ± 0.0004 Å
• c: 39.5972 ± 0.0012 Å
• α: 90°
• β: 91.115 ± 0.002°
• γ: 90°
• Cell volume: 5589 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0582
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No