Information card for entry 7026025

Structure parameters

• Formula: C35 H29 Cl2 O3 P Ru
• Calculated formula: C35 H29 Cl2 O3 P Ru
• SMILES: c12c(ccc3ccccc13)O[P](Oc1c2c2c(cc1)cccc2)(Oc1ccccc1)[Ru]12345([c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C)(Cl)Cl
• Title of publication: Chiral phosphonite, phosphite and phosphoramidite eta6-arene-ruthenium(II) complexes: application to the kinetic resolution of allylic alcohols.
• Authors of publication: Fernández-Zúmel, Mariano A; Lastra-Barreira, Beatriz; Scheele, Marcus; Díez, Josefina; Crochet, Pascale; Gimeno, José
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7780 - 7785
• a: 13.4193 ± 0.0003 Å
• b: 18.7656 ± 0.0002 Å
• c: 11.9365 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3005.86 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No