Information card for entry 7715141

Structure parameters

• Formula: C32 H49 Cu N2
• Calculated formula: C32 H49 Cu N2
• SMILES: [Cu](=C1N(CCCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)CCCC
• Title of publication: Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.
• Authors of publication: Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 3990 - 3993
• a: 10.884 ± 0.0001 Å
• b: 16.2724 ± 0.0001 Å
• c: 17.2809 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3060.6 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No