Information card for entry 7715140

Structure parameters

• Formula: C35.25 H48 Cu N2
• Calculated formula: C34 H45 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: 27.8759 ± 0.0004 Å
• b: 27.8759 ± 0.0004 Å
• c: 22.0267 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14823.1 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No