Information card for entry 7012582

Structure parameters

• Common name: (CuL2).3MeOH
• Formula: C61 H74 Cu N4 O5
• Calculated formula: C61 H74 Cu N4 O5
• SMILES: [Cu]12(Oc3c(c4[nH]c(c([n]14)c1ccccc1)c1ccccc1)cc(cc3C(C)(C)C)C(C)(C)C)Oc1c(c3[nH]c(c([n]23)c2ccccc2)c2ccccc2)cc(cc1C(C)(C)C)C(C)(C)C.OC.OC.OC
• Title of publication: A phenol?imidazole pro-ligand that can exist as a phenoxyl radical, alone and when complexed to copper(ii) and zinc(ii)Based on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.
• Authors of publication: Benisvy, Laurent; Blake, Alexander J.; Collison, David; Stephen Davies, E.; David Garner, C.; McInnes, Eric J. L.; McMaster, Jonathan; Whittaker, Gavin; Wilson, Claire
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1975
• a: 12.207 ± 0.001 Å
• b: 13.79 ± 0.001 Å
• c: 18.805 ± 0.002 Å
• α: 70.972 ± 0.002°
• β: 74.63 ± 0.002°
• γ: 68.125 ± 0.002°
• Cell volume: 2739.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0681
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No