Information card for entry 4073576

Structure parameters

• Formula: C29 H28 F6 P2 Ru
• Calculated formula: C29 H28 F6 P2 Ru
• SMILES: C1[CH]2=[CH]3[CH]4=[CH](c5ccc(cc5)C)[Ru]5678234([cH]2[cH]5[cH]6[cH]7[cH]82)[P]1(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Regioselective Synthesis of η4-Dienylphosphane Ruthenium Complexes by Oxidative Coupling Reactions
• Authors of publication: Díez, J.; Gamasa, M. P.; Lastra, E.; Villar, A.; Pérez-Carreño, E.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5315
• a: 9.4165 ± 0.0001 Å
• b: 18.136 ± 0.0002 Å
• c: 16.3007 ± 0.0002 Å
• α: 90°
• β: 106.866 ± 0.001°
• γ: 90°
• Cell volume: 2664.05 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No