Information card for entry 7015464

Structure parameters

• Formula: C26 H34 Cu N2 O4
• Calculated formula: C26 H34 Cu N2 O4
• SMILES: [Cu]12([O]=C(O1)C)(OC(=[O]2)C)=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Dual reactivity of N-heterocyclic carbenes towards copper(II) salts.
• Authors of publication: Kolychev, Eugene L.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Bush, Alexander A.; Nechaev, Mikhail S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 3074 - 3076
• a: 23.7798 ± 0.0011 Å
• b: 8.8383 ± 0.0004 Å
• c: 16.8227 ± 0.0014 Å
• α: 90°
• β: 134.886 ± 0.001°
• γ: 90°
• Cell volume: 2505.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No