Information card for entry 7002436

Structure parameters

• Common name: m2-N,N-bis(4,5-Dimethyl-2-oxobenzyl)-N-(2- pyridylmethyl)amine, m3-N,N-bis(4,5-Dimethyl-2-oxobenzyl)-N-(2- pyridylmethyl)amine, (m2, m3)-N,N-bis(4,5-Dimethyl-2-oxobenzyl)-N-(2- pyridylmethyl)amine-tri-nickel(ii)
• Formula: C72 H78 N6 Ni3 O6
• Calculated formula: C72 H78 N6 Ni3 O6
• SMILES: [Ni]12345[O]67[Ni]89%10([O]%11[Ni]7%12%13(Oc7cc(c(cc7C[N]%12(Cc7c6cc(c(c7)C)C)Cc6[n]%13cccc6)C)C)[O]38c3c(cc(c(c3)C)C)C[N]%10(Cc3c%11cc(c(c3)C)C)Cc3[n]9cccc3)[O]2c2cc(c(cc2C[N]5(Cc2c(O1)cc(c(c2)C)C)Cc1[n]4cccc1)C)C
• 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: 51.673 ± 0.009 Å
• b: 13.205 ± 0.002 Å
• c: 21.82 ± 0.004 Å
• α: 90°
• β: 101.747 ± 0.003°
• γ: 90°
• Cell volume: 14577 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No