Information card for entry 4066015

Structure parameters

• Formula: C62 H54 Cu I N4 O2 P2
• Calculated formula: C62 H54 Cu I N4 O2 P2
• SMILES: I[Cu]([P@@]1(OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1)N1c2ccccc2C=Cc2ccccc12)[P@@]1(OC([C@H]2N1CCC2)(c1ccccc1)c1ccccc1)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: 12.04 ± 0.005 Å
• b: 18.12 ± 0.006 Å
• c: 13.188 ± 0.005 Å
• α: 90°
• β: 112.916 ± 0.009°
• γ: 90°
• Cell volume: 2650.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No