Information card for entry 4076282

Structure parameters

• Formula: C32 H42 Cu N2 O2
• Calculated formula: C32 H42 Cu N2 O2
• SMILES: [Cu](OC(=O)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1
• Title of publication: Synthesis, Structure, and CO2Reactivity of a Two-Coordinate (Carbene)copper(I) Methyl Complex
• Authors of publication: Mankad, Neal P.; Gray, Thomas G.; Laitar, David S.; Sadighi, Joseph P.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1191
• a: 17.6693 ± 0.0016 Å
• b: 23.498 ± 0.002 Å
• c: 16.4406 ± 0.0015 Å
• α: 90°
• β: 115.716 ± 0.002°
• γ: 90°
• Cell volume: 6149.9 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No