Information card for entry 4343214

Structure parameters

• Chemical name: [chlorobis(triphenylphosphine)(dithiocarboxytriphenylphosphine)- (thiocarbonyl)ruthenium(II)] chloride . 2 methanol cocrystal
• Formula: C58 H53 Cl2 O2 P3 Ru S3
• Calculated formula: C58 H53 Cl2 O2 P3 Ru S3
• Title of publication: Formation of a Stable Complex, RuCl2(S2CPPh3)(PPh3)2, Containing an Unstable Zwitterion from the Reaction of RuCl2(PPh3)3 with Carbon Disulfide.
• Authors of publication: Ghiassi, Kamran B.; Walters, Daniel T.; Aristov, Michael M.; Loewen, Natalia D.; Berben, Louise A.; Rivera, Melissa; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4565 - 4573
• a: 12.8823 ± 0.0017 Å
• b: 12.8979 ± 0.0016 Å
• c: 16.549 ± 0.002 Å
• α: 82.295 ± 0.004°
• β: 72.142 ± 0.004°
• γ: 87.187 ± 0.004°
• Cell volume: 2593.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No