Information card for entry 4305227

Structure parameters

• Formula: C34 H37 Cl5 N5 O2 P Ru
• Calculated formula: C34 H37 Cl5 N5 O2 P Ru
• SMILES: C12C(=O)O[Ru](Cl)([n]3c(C)cc(C)n13)([n]1c(C)cc(C)n21)([N]#CC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 17.715 ± 0.004 Å
• b: 10.9196 ± 0.0011 Å
• c: 20.288 ± 0.004 Å
• α: 90°
• β: 110.04 ± 0.009°
• γ: 90°
• Cell volume: 3686.9 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No