Information card for entry 7015710

Structure parameters

• Formula: C31 H31 Cl4 N4 O4 P Ru S
• Calculated formula: C31 H31 Cl4 N4 O4 P Ru S
• 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: 10.2222 ± 0.0009 Å
• b: 11.7705 ± 0.001 Å
• c: 15.5181 ± 0.0013 Å
• α: 81.278 ± 0.001°
• β: 71.154 ± 0.001°
• γ: 77.078 ± 0.001°
• Cell volume: 1715.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No