Information card for entry 4305232

Structure parameters

• Formula: C39 H39 Cl4 N4 O6 P Ru S
• Calculated formula: C39 H39 Cl4 N4 O6 P Ru S
• SMILES: [Ru]123(S(=O)(=O)OC(c4ccccc4)=[O]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)C(n1[n]2c(C)cc1C)n1[n]3c(C)cc1C.ClCCl.ClCCl
• Title of publication: Synthesis, Structure, and Reactivity of Ruthenium Carboxylato and 2-Oxocarboxylato Complexes Bearing the Bis(3,5-dimethylpyrazol-1-yl)acetato Ligand
• Authors of publication: Stefan Tampier; Rainer Müller; Andrea Thorn; Eike Hübner; Nicolai Burzlaff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9624 - 9641
• a: 10.863 ± 0.006 Å
• b: 14.38 ± 0.008 Å
• c: 26.08 ± 0.013 Å
• α: 90°
• β: 90.07 ± 0.05°
• γ: 90°
• Cell volume: 4074 ± 4 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No