Information card for entry 7026023

Structure parameters

• Formula: C32.25 H23.5 Cl2.5 O2 P Ru
• Calculated formula: C32.25 H23.5 Cl2.5 O2 P Ru
• 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: 11.5207 ± 0.0002 Å
• b: 14.5067 ± 0.0003 Å
• c: 16.9585 ± 0.0003 Å
• α: 80.385 ± 0.001°
• β: 89.625 ± 0.002°
• γ: 84.368 ± 0.001°
• Cell volume: 2780.79 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No