Information card for entry 4307981

Structure parameters

• Formula: C23 H44 Cl2 F3 N2 O15 P4 Ru2 S3
• Calculated formula: C23 H44 Cl2 F3 N2 O15 P4 Ru2 S3
• SMILES: [Ru]123([Cl][Ru]([Cl]1)(SS2)([P](OC)(OC)OC)([P](OC)(OC)OC)[N]#CCc1cc(ccc1)CC#[N]3)([P](OC)(OC)OC)[P](OC)(OC)OC.S(=O)(=O)(C(F)(F)F)[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: 18.818 ± 0.012 Å
• b: 13.172 ± 0.008 Å
• c: 17.09 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4236 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No