Information card for entry 2242620

Structure parameters

• Chemical name: Bis[μ-(1,3-dimesityl-1<i>H</i>-imidazol-3-ium-2-yl)methanolato-κ^2^<i>O</i>:<i>O</i>]bis[dichloridocopper(II)]
• Formula: C44 H52 Cl4 Cu2 N4 O2
• Calculated formula: C44 H52 Cl4 Cu2 N4 O2
• SMILES: [Cu]1(Cl)(Cl)[O]([Cu](Cl)(Cl)[O]1Cc1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cc1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Crystal structure of the [(1,3-dimesityl-1<i>H</i>-imidazol-3-ium-2-yl)methanolato]copper(II) chloride dimer: insertion of formaldehyde into a copper‒carbene bond
• Authors of publication: Dodds, Christopher A.; Kennedy, Alan R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1369 - 1372
• a: 11.1962 ± 0.0008 Å
• b: 13.5321 ± 0.001 Å
• c: 15.5615 ± 0.0008 Å
• α: 90°
• β: 107.705 ± 0.006°
• γ: 90°
• Cell volume: 2246 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1326
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes