Information card for entry 4318425

Structure parameters

• Common name: [Ru((DPPBT)~2~CH~2~)(DPPBT)]Cl
• Chemical name: [(bis-(2-diphenylphosphinothiaphenolato)methane) (2-diphenylphosphinothiaphenolato)ruthenium(II)]chloride
• Formula: C57.5 H54 Cl3 O3 P3 Ru S3
• Calculated formula: C57.16 H46 Cl2.32 O2.66667 P3 Ru S3
• Title of publication: Dichloromethane Alkylates a Trithiolato-Ruthenium Complex to Yield a Methylene-Bridged Thioether Core. Synthesis and Structural Comparison to the Thiolato-Ruthenium Precursor
• Authors of publication: Craig A. Grapperhaus; Selma Poturovic; Mark S. Mashuta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4309 - 4311
• a: 21.5147 ± 0.0007 Å
• b: 21.5147 ± 0.0007 Å
• c: 61.015 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24459 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No