Information card for entry 4125110

Structure parameters

• Formula: C22 H36 Cl Cu N2
• Calculated formula: C22 H36 Cl Cu N2
• SMILES: [Cu](Cl)=C1N(c2c(C(C)C)cccc2C(C)C)C(C[C@@]1(CN(C)C)C)(C)C
• Title of publication: Synthesis of Hemilabile Cyclic (Alkyl)(amino)carbenes (CAACs) and Applications in Organometallic Chemistry.
• Authors of publication: Chu, Jiaxiang; Munz, Dominik; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 25
• Pages of publication: 7884 - 7887
• a: 8.4234 ± 0.0003 Å
• b: 16.0108 ± 0.0006 Å
• c: 8.5636 ± 0.0003 Å
• α: 90°
• β: 101.32 ± 0.002°
• γ: 90°
• Cell volume: 1132.47 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No