Information card for entry 4111685

Structure parameters

• Formula: C72 H62 Cl2 Cu2 N4 O3.75
• Calculated formula: C72 H62 Cl2 Cu2 N4 O3.75
• Title of publication: A Readily Available Chiral Ag-Based N-Heterocyclic Carbene Complex for Use in Efficient and Highly Enantioselective Ru-Catalyzed Olefin Metathesis and Cu-Catalyzed Allylic Alkylation Reactions
• Authors of publication: Joshua J. Van Veldhuizen; John E. Campbell; Russell E. Giudici; Amir H. Hoveyda
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6877 - 6882
• a: 17.1345 ± 0.0007 Å
• b: 20.4994 ± 0.0009 Å
• c: 20.6618 ± 0.0009 Å
• α: 90°
• β: 105.575 ± 0.001°
• γ: 90°
• Cell volume: 6990.9 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.23
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No