Information card for entry 4307982

Structure parameters

• Formula: C23 H44 Br2 F3 N2 O15 P4 Ru2 S3
• Calculated formula: C23 H44 Br2 F3 N2 O15 P4 Ru2 S3
• SMILES: [Br]1[Ru]23([Br][Ru]1(SS2)([P](OC)(OC)OC)([P](OC)(OC)OC)[N]#CCc1cc(CC#[N]3)ccc1)([P](OC)(OC)OC)[P](OC)(OC)OC.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: 12.2984 ± 0.0015 Å
• b: 13.0334 ± 0.0015 Å
• c: 13.5373 ± 0.0016 Å
• α: 82.017 ± 0.002°
• β: 78.268 ± 0.002°
• γ: 89.181 ± 0.002°
• Cell volume: 2103.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0588
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No