Information card for entry 4331744

Structure parameters

• Formula: C44 H46 F6 O3 P3 Ru S4
• Calculated formula: C44 H44 F6 O3 P3 Ru S4
• Title of publication: Syntheses, Structural Determinations of [Ru(ROCS2)2(PPh3)2]+/0Pairs, and Kinetic Analyses of Thermal Reactions Involving Transienttrans-[Ru(iPrOCS2)2(PPh3)2] Species (ROCS2-= Ethyl- or Isopropyldithiocarbonate and PPh3= Triphenylphosphine)
• Authors of publication: Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1349 - 1355
• a: 11.336 ± 0.007 Å
• b: 11.415 ± 0.008 Å
• c: 19.347 ± 0.013 Å
• α: 76.77 ± 0.05°
• β: 75.76 ± 0.05°
• γ: 76.49 ± 0.05°
• Cell volume: 2320 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No