Information card for entry 4307986

Structure parameters

• Formula: C30 H56 Cl2 F6 N2 O18 P4 Ru2 S4
• Calculated formula: C30 H56 Cl2 F6 N2 O18 P4 Ru2 S4
• SMILES: [Ru]123([S]([S]([Ru]([P](OC)(OC)OC)([P](OC)(OC)OC)([Cl]1)([Cl]2)[N]#CCc1cc(CC#[N]3)ccc1)C)C/C=C/CC)([P](OC)(OC)OC)[P](OC)(OC)OC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: C-H Cleavage and Double Alkyl Additions to the Disulfido Ligand in Dicyanido-Bridged Ru2S2 Complexes
• Authors of publication: Sumito Ishizu; Hiroyasu Sugiyama; Brian K. Breedlove; Kazuko Matsumoto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3726 - 3735
• a: 8.853 ± 0.007 Å
• b: 12.38 ± 0.009 Å
• c: 24.678 ± 0.018 Å
• α: 103.258 ± 0.012°
• β: 94.601 ± 0.012°
• γ: 95.267 ± 0.014°
• Cell volume: 2607 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0842
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No