Information card for entry 4065541

Structure parameters

• Formula: C43 H50 Cl4 F12 O P2 Ru Sb2
• Calculated formula: C43 H50 Cl4 F12 O P2 Ru Sb2
• SMILES: [Ru]123456([P](c7ccccc7)(c7ccccc7)[C@@H](C[P]1(c1ccccc1)c1ccccc1)C)([O]=CC(=C)C)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Enantioselective Diels‒Alder Reactions Catalyzed by Well-Defined Arene‒Ruthenium Complexes. Relationship between Catalyst Structure and Enantioselectivity
• Authors of publication: Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Barba, Carmen; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6726
• a: 11.4111 ± 0.0007 Å
• b: 20.225 ± 0.0013 Å
• c: 11.7749 ± 0.0008 Å
• α: 90°
• β: 112.134 ± 0.001°
• γ: 90°
• Cell volume: 2517.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No