Information card for entry 7002435

Structure parameters

• Common name: bis-(m2-N,N-bis(4,5-Dimethyl-2-oxobenzyl)-N-(2- pyridylmethyl)amine-di-cobalt(ii) monohydrate.
• Formula: C48 H54 Co2 N4 O5
• Calculated formula: C48 H54 Co2 N4 O5
• SMILES: [Co]1234[O]([Co]567[O]2c2c(cc(c(c2)C)C)C[N]6(Cc2c(O5)cc(c(c2)C)C)Cc2[n]7cccc2)c2c(cc(c(c2)C)C)C[N]3(Cc2c(O1)cc(c(c2)C)C)Cc1[n]4cccc1.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: 10.886 ± 0.004 Å
• b: 11.807 ± 0.004 Å
• c: 20.893 ± 0.007 Å
• α: 85.537 ± 0.006°
• β: 75.688 ± 0.005°
• γ: 63.367 ± 0.005°
• Cell volume: 2324.3 ± 1.4 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: 0.0421
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No