Information card for entry 4339870

Structure parameters

• Formula: C36 H70 Ag2 Cl4 Co2 F6 N2 O26 P6 Ru2 S2
• Calculated formula: C36 H70 Ag2 Cl4 Co2 F6 N2 O26 P6 Ru2 S2
• SMILES: [Ag]12([Cl]([Ag]3([Cl]1[Ru]14([Cl]3)(O[P]([Co]3567([P](OCC)(OCC)O1)([P](OCC)(OCC)O4)[cH]1[cH]3[cH]5[cH]6[cH]71)(OCC)OCC)N=O)OS(=O)(=O)C(F)(F)F)[Ru]13([Cl]2)(O[P]([Co]2456([P](OCC)(OCC)O1)([P](OCC)(OCC)O3)[cH]1[cH]2[cH]4[cH]5[cH]61)(OCC)OCC)N=O)OS(=O)(=O)C(F)(F)F
• Title of publication: Electrophilic ruthenium(VI) nitrido complex containing Kläui's oxygen tripodal ligand.
• Authors of publication: Yi, Xiao-Yi; Lam, Tony C. H.; Sau, Yiu-Keung; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7193 - 7198
• a: 9.5821 ± 0.0006 Å
• b: 36.808 ± 0.002 Å
• c: 19.0222 ± 0.0011 Å
• α: 90°
• β: 91.143 ± 0.001°
• γ: 90°
• Cell volume: 6707.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 11
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No