Information card for entry 4112136

Structure parameters

• Formula: C53.33 H55.33 Cl4 Cu2 Fe2 P2 S2
• Calculated formula: C53.32 H55.32 Cl4 Cu2 Fe2 P2 S2
• Title of publication: Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines
• Authors of publication: Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 456 - 457
• a: 17.7079 ± 0.0002 Å
• b: 17.7079 ± 0.0002 Å
• c: 15.0264 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4080.56 ± 0.08 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No