Information card for entry 7015681

Structure parameters

• Formula: C54 H72 F12 N2 O4 P2 Ru2
• Calculated formula: C54 H72 F12 N2 O4 P2 Ru2
• Title of publication: Preparation of chiral ruthenium(iv) complexes and applications in regio- and enantioselective allylation of phenols.
• Authors of publication: Sahli, Zeyneb; Derrien, Nolwenn; Pascal, Simon; Demerseman, Bernard; Roisnel, Thierry; Barrière, Frédéric; Achard, Mathieu; Bruneau, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 20
• Pages of publication: 5625 - 5630
• a: 35.2478 ± 0.0014 Å
• b: 8.9626 ± 0.0004 Å
• c: 24.94 ± 0.001 Å
• α: 90°
• β: 134.205 ± 0.001°
• γ: 90°
• Cell volume: 5647.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No