Information card for entry 4307984

Structure parameters

• Formula: C30 H54 Br2 F6 N2 O18 P4 Ru2 S4
• Calculated formula: C30 H54 Br2 F6 N2 O18 P4 Ru2 S4
• SMILES: [Ru]123([Br][Ru]([Br]1)([P](OC)(OC)OC)([S]1[S]2CC(=C(C1)C)C)([P](OC)(OC)OC)[N]#CCc1cc(ccc1)CC#[N]3)([P](OC)(OC)OC)[P](OC)(OC)OC.S(=O)(=O)([O-])C(F)(F)F.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: 9.367 ± 0.004 Å
• b: 11.691 ± 0.005 Å
• c: 23.899 ± 0.011 Å
• α: 102.601 ± 0.008°
• β: 99.426 ± 0.009°
• γ: 94.774 ± 0.009°
• Cell volume: 2500.3 ± 1.9 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: 0.0994
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No