Information card for entry 7015708

Structure parameters

• Formula: C32 H34 Cl3 N6 O2 P Ru
• Calculated formula: C32 H34 Cl3 N6 O2 P Ru
• SMILES: C1(=O)C2(C)n3c(cc(C)[n]3[Ru](Cl)([N]#N)([n]3c(C)cc(C)n23)(O1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C.C(Cl)Cl
• Title of publication: Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.
• Authors of publication: Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4678 - 4686
• a: 9.8965 ± 0.0008 Å
• b: 11.6847 ± 0.0005 Å
• c: 15.307 ± 0.001 Å
• α: 82.558 ± 0.004°
• β: 73.358 ± 0.007°
• γ: 76.584 ± 0.005°
• Cell volume: 1645.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No