Information card for entry 7038587

Structure parameters

• Formula: C20 H29 Cl2 O P Ru
• Calculated formula: C20 H29 Cl2 O P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P](O)(c6ccccc6)CCCC)[cH]6[c]1([cH]2[cH]3[c]4([cH]56)C(C)C)C
• Title of publication: [RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.
• Authors of publication: Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6491 - 6502
• a: 12.9144 ± 0.0002 Å
• b: 14.5667 ± 0.0003 Å
• c: 13.3764 ± 0.0003 Å
• α: 90°
• β: 117.086 ± 0.001°
• γ: 90°
• Cell volume: 2240.39 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No