Information card for entry 7034181

Structure parameters

• Formula: C24 H30 N4 Ni O2
• Calculated formula: C24 H30 N4 Ni O2
• SMILES: C1C(C)=[N]([Ni]2([N](=C(C=C(C)O2)C)N(c2ccccc2)C)OC=1C)N(c1ccccc1)C
• Title of publication: Synthesis, characterization and structure of nickel and copper compounds containing ligands derived from keto-enehydrazines and their catalytic application for aerobic oxidation of alcohols.
• Authors of publication: Gaona, Miguel Ángel; Montilla, Francisco; Álvarez, Eleuterio; Galindo, Agustín
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6516 - 6525
• a: 6.1698 ± 0.0004 Å
• b: 9.4346 ± 0.0005 Å
• c: 10.2894 ± 0.0005 Å
• α: 81.887 ± 0.002°
• β: 77.659 ± 0.002°
• γ: 81.547 ± 0.002°
• Cell volume: 575 ± 0.06 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No