Information card for entry 4331742

Structure parameters

• Formula: C45.5 H46.5 Cl N0.5 O2 P2 Ru S4
• Calculated formula: C45.5 H43.5 Cl N0.5 O2 P2 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: 12.052 ± 0.005 Å
• b: 36.352 ± 0.014 Å
• c: 20.134 ± 0.009 Å
• α: 90°
• β: 100.545 ± 0.018°
• γ: 90°
• Cell volume: 8672 ± 6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No