Information card for entry 7715139

Structure parameters

• Formula: C32 H49 Cu N2
• Calculated formula: C32 H49 Cu N2
• 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: 10.9361 ± 0.0006 Å
• b: 15.291 ± 0.0006 Å
• c: 18.7521 ± 0.0008 Å
• α: 90°
• β: 100.92 ± 0.004°
• γ: 90°
• Cell volume: 3079 ± 0.2 ų
• Cell temperature: 149.9 ± 0.6 K
• Ambient diffraction temperature: 149.9 ± 0.6 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No