Information card for entry 7038584

Structure parameters

• Formula: C22 H25 Cl2 O P Ru
• Calculated formula: C22 H25 Cl2 O P Ru
• SMILES: [cH]12[c]3([cH]4[cH]5[c]6([cH]1[Ru]23456(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)O)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: 10.3655 ± 0.0002 Å
• b: 12.2369 ± 0.0002 Å
• c: 17.5309 ± 0.0004 Å
• α: 90°
• β: 99.16 ± 0.001°
• γ: 90°
• Cell volume: 2195.29 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No