Information card for entry 4087403

Structure parameters

• Formula: C40 H52 Cl3 F6 O3 P3 Ru
• Calculated formula: C40 H52 Cl3 F6 O3 P3 Ru
• SMILES: C1(=C=C(c2ccccc2)c2ccccc2)[P+](C[CH]2=[CH2][Ru]345612([cH]1[cH]3[cH]4[c]25cccc[c]612)[P](OCC)(OCC)OCC)(C(C)C)C(C)C.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Nucleophilic Additions to Allenylidene Ruthenium Complexes
• Authors of publication: García de la Arada, Isaac; Díez, Josefina; Gamasa, M. Pilar; Lastra, Elena
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1345
• a: 10.477 ± 0.0005 Å
• b: 12.8432 ± 0.0008 Å
• c: 17.1646 ± 0.0008 Å
• α: 92.862 ± 0.004°
• β: 96.767 ± 0.004°
• γ: 104.16 ± 0.004°
• Cell volume: 2216.4 ± 0.2 ų
• Cell temperature: 151.8 ± 0.2 K
• Ambient diffraction temperature: 151.8 ± 0.2 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: 0.0526
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No