Information card for entry 4307980

Structure parameters

• Formula: C24 H44 Br2 F6 N2 O18 P4 Ru2 S4
• Calculated formula: C24 H44 Br2 F6 N2 O18 P4 Ru2 S4
• SMILES: CO[P]([Ru]123([Br][Ru]([Br]1)([P](OC)(OC)OC)(SS2)([P](OC)(OC)OC)[N]#CCc1cccc(c1)CC#[N]3)[P](OC)(OC)OC)(OC)OC.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F
• 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: 12.96 ± 0.002 Å
• b: 13.624 ± 0.002 Å
• c: 14.275 ± 0.002 Å
• α: 104.22 ± 0.003°
• β: 94.368 ± 0.003°
• γ: 101.795 ± 0.003°
• Cell volume: 2370.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No