Information card for entry 4112856

Structure parameters

• Common name: {[Me2NN]Cu}2(m-CPh2)
• Formula: C55 H60 Cu2 N4
• Calculated formula: C55 H60 Cu2 N4
• SMILES: [Cu]12([Cu]3(C1(c1ccccc1)c1ccccc1)[N](c1c(C)cccc1C)=C(C=C(N3c1c(cccc1C)C)C)C)[N](=C(C=C(N2c1c(C)cccc1C)C)C)c1c(cccc1C)C
• Title of publication: Discrete Bridging and Terminal Copper Carbenes in Copper-Catalyzed Cyclopropanation
• Authors of publication: Xuliang Dai; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10085 - 10094
• a: 23.906 ± 0.002 Å
• b: 23.681 ± 0.002 Å
• c: 19.3596 ± 0.0019 Å
• α: 90°
• β: 112.538 ± 0.002°
• γ: 90°
• Cell volume: 10122.8 ± 1.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No