Information card for entry 4066012

Structure parameters

• Formula: C38 H34 Cl N4 O4 P2 Rh
• Calculated formula: C38 H34 Cl N4 O4 P2 Rh
• SMILES: [Rh]12(Cl)([P@@]3(OC(=O)[C@H]4N3CCC4)N3c4ccccc4[CH]1=[CH]2c1ccccc31)[P@@]1(OC(=O)[C@H]2N1CCC2)N1c2ccccc2C=Cc2ccccc12
• Title of publication: Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)
• Authors of publication: Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2503
• a: 10.1359 ± 0.0007 Å
• b: 14.4717 ± 0.001 Å
• c: 24.2819 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3561.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No