Information card for entry 7002437

Structure parameters

• Common name: bis-(m2-N,N-bis(4,5-Dimethyl-2-oxobenzyl)-N-(2- pyridylmethyl)amine-(aqua) di-nickel(ii) acetonitrile solvate
• Formula: C49 H58.5 N4.5 Ni2 O6.5
• Calculated formula: C49 H56.5 N4.5 Ni2 O6.5
• 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: 14.083 ± 0.006 Å
• b: 17.12 ± 0.007 Å
• c: 19.394 ± 0.008 Å
• α: 90°
• β: 104 ± 0.007°
• γ: 90°
• Cell volume: 4537 ± 3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.132
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No