Information card for entry 4307987

Structure parameters

• Formula: C29 H55 Cl2 F3 N2 O15 P4 Ru2 S3
• Calculated formula: C29 H55 Cl2 F3 N2 O15 P4 Ru2 S3
• SMILES: CO[P]([Ru]123([Cl][Ru]([S](S2)C\C=C\CCC)([Cl]1)([P](OC)(OC)OC)([P](OC)(OC)OC)[N]#CCc1cc(ccc1)CC#[N]3)[P](OC)(OC)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: 12.2103 ± 0.0018 Å
• b: 13.232 ± 0.002 Å
• c: 16.283 ± 0.002 Å
• α: 66.21 ± 0.002°
• β: 88.096 ± 0.003°
• γ: 88.014 ± 0.003°
• Cell volume: 2405.3 ± 0.6 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: 0.1186
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No