Information card for entry 4084746

Structure parameters

• Formula: C46 H38 Cl N4 O3 P Ru
• Calculated formula: C46 H38 Cl N4 O3 P Ru
• SMILES: C12C(=O)O[Ru](=C=C=C3c4c(C(=O)c5c3cccc5)cccc4)(Cl)([n]3c(C)cc(C)n13)([n]1c(C)cc(C)n21)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.1411 ± 0.0007 Å
• b: 12.4107 ± 0.0011 Å
• c: 14.8427 ± 0.0012 Å
• α: 93.01 ± 0.008°
• β: 98.019 ± 0.005°
• γ: 98.291 ± 0.005°
• Cell volume: 2185.4 ± 0.3 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: 0.0362
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No