Information card for entry 4084745

Structure parameters

• Formula: C47 H40 Cl3 N4 O3 P Ru
• Calculated formula: C47 H40 Cl3 N4 O3 P Ru
• Title of publication: Carbon-Rich Ruthenium Allenylidene Complexes Bearing Heteroscorpionate Ligands
• Authors of publication: Strinitz, Frank; Tucher, Johannes; Januszewski, Johanna A.; Waterloo, Andreas R.; Stegner, Philipp; Förtsch, Sebastian; Hübner, Eike; Tykwinski, Rik R.; Burzlaff, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5129
• a: 12.7183 ± 0.0013 Å
• b: 12.9619 ± 0.0004 Å
• c: 14.5615 ± 0.0011 Å
• α: 86.985 ± 0.005°
• β: 69.949 ± 0.006°
• γ: 77.142 ± 0.006°
• Cell volume: 2197.7 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No