Information card for entry 4307985

Structure parameters

• Formula: C28 H53 Cl2 F3 N2 O15 P4 Ru2 S3
• Calculated formula: C28 H53 Cl2 F3 N2 O15 P4 Ru2 S3
• SMILES: c1c2cc(CC#[N][Ru]34([Cl][Ru]([Cl]3)([P](OC)(OC)OC)([S](S4)C/C=C/CC)([P](OC)(OC)OC)[N]#CC2)([P](OC)(OC)OC)[P](OC)(OC)OC)cc1.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: 11.906 ± 0.005 Å
• b: 13.125 ± 0.006 Å
• c: 15.181 ± 0.006 Å
• α: 80.023 ± 0.007°
• β: 86.096 ± 0.008°
• γ: 85.906 ± 0.008°
• Cell volume: 2326.7 ± 1.7 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: 0.1035
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No