Information card for entry 4084742

Structure parameters

• Formula: C31 H30 Cl N4 O3 P Ru
• Calculated formula: C31 H30 Cl N4 O3 P Ru
• SMILES: C12C(=O)O[Ru](C#[O])(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: 16.4731 ± 0.001 Å
• b: 10.7331 ± 0.0008 Å
• c: 18.2521 ± 0.0013 Å
• α: 90°
• β: 113.487 ± 0.004°
• γ: 90°
• Cell volume: 2959.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No