Information card for entry 4318424

Structure parameters

• Common name: [PPN][Ru(DPPBT)~3~]
• Chemical name: [bis(triphenylphosphoranylidene)ammonium][tris-(2-diphenyl phosphinothiaphenolato)ruthenium(II)]
• Formula: C90 H72 N P5 Ru S3
• Calculated formula: C90 H72 N P5 Ru S3
• SMILES: [Ru]123([P](c4c(S1)cccc4)(c1ccccc1)c1ccccc1)([P](c1c(S2)cccc1)(c1ccccc1)c1ccccc1)[P](c1c(S3)cccc1)(c1ccccc1)c1ccccc1.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.3556 ± 0.0007 Å
• b: 16.773 ± 0.0012 Å
• c: 21.7335 ± 0.0016 Å
• α: 86.45 ± 0.01°
• β: 81.45 ± 0.01°
• γ: 82.35 ± 0.01°
• Cell volume: 3696.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No