Information card for entry 7015463

Structure parameters

• Formula: C25 H30 Cu N2 O4
• Calculated formula: C25 H30 Cu N2 O4
• SMILES: [Cu]12([O]=C(O1)C)(OC(=[O]2)C)=C1N(C=CN1c1c(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: 8.48 ± 0.003 Å
• b: 12.416 ± 0.004 Å
• c: 12.623 ± 0.004 Å
• α: 83.44 ± 0.007°
• β: 73.973 ± 0.006°
• γ: 71.022 ± 0.006°
• Cell volume: 1207.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1008
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No