Information card for entry 4305233

Structure parameters

• Formula: C34 H35 B Cl2 F4 N5 O6 P Ru
• Calculated formula: C34 H35 B Cl2 F4 N5 O6 P Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)(OC(=O)C(n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(N=O)OC(=O)C(=O)C.ClCCl.[B](F)(F)(F)[F-]
• 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: 9.516 ± 0.004 Å
• b: 11.297 ± 0.008 Å
• c: 18.399 ± 0.008 Å
• α: 85.67 ± 0.05°
• β: 86.36 ± 0.04°
• γ: 75.7 ± 0.05°
• Cell volume: 1909.1 ± 1.8 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No