Information card for entry 4322917

Structure parameters

• Formula: C44 H74 Li O3 P Ru S4
• Calculated formula: C44 H74 Li O3 P Ru S4
• SMILES: [Ru]1234([S](c5ccccc5[S]1CC[S]2c1c(S3)cccc1)[Li]([O]1CCCC1)([O](CC)CC)[H]4)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.O(CC)CC
• Title of publication: Transition Metal Complexes with Sulfur Ligands. 130.1 Synthesis, Structure, and Reactivity of the Sulfur-Rich Ruthenium Hydride Complexes [Ru(H)(PR~3~)('S~4~')]^-^ and the η2-H2 Complex [Ru(H~2~)(PCy~3~)('S~4~')] (R = Ph, ^i^Pr, Cy; 'S~4~'2- = 1,2-Bis((2-mercaptophenyl)thio)ethane(2-))
• Authors of publication: Dieter Sellmann; Torsten Gottschalk-Gaudig; Frank W. Heinemann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3982 - 3988
• a: 12.642 ± 0.001 Å
• b: 13.229 ± 0.003 Å
• c: 15.695 ± 0.002 Å
• α: 88.96 ± 0.01°
• β: 83.48 ± 0.01°
• γ: 62.16 ± 0.01°
• Cell volume: 2304.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0927
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.1094
• Goodness-of-fit parameter for all reflections: 0.843
• Goodness-of-fit parameter for significantly intense reflections: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No