Information card for entry 7002438

Structure parameters

• Common name: bis-(m2-N,N-bis(4,5-Dimethyl-2-oxobenzyl)-N-(2- pyridylmethyl)amine-di-copper(ii)
• Formula: C48 H58 Cu2 N4 O7
• Calculated formula: C48 H58 Cu2 N4 O7
• SMILES: [Cu]1234Oc5c(cc(c(c5)C)C)C[N]3(Cc3c([O]1[Cu]156Oc7cc(c(cc7C[N]5(Cc5c([O]21)cc(c(c5)C)C)Cc1[n]6cccc1)C)C)cc(c(c3)C)C)Cc1[n]4cccc1.O.O.O
• Title of publication: Electrochemical synthesis and structural characterization of Co(II), Ni(II) and Cu(II) complexes of N,N-bis(4,5-dimethyl-2-hydroxybenzyl)-N-(2-pyridylmethyl)amine
• Authors of publication: Labisbal, Elena; Rodríguez, Laura; Souto, Oscar; Sousa-Pedrares, Antonio; García-Vázquez, José Arturo; Romero, Jaime; Sousa, Antonio; Yáñez, Matilde; Orallo, Francisco; Real, José A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8644 - 8656
• a: 10.694 ± 0.002 Å
• b: 22.64 ± 0.004 Å
• c: 20.273 ± 0.004 Å
• α: 90°
• β: 95.394 ± 0.003°
• γ: 90°
• Cell volume: 4886.6 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No