Information card for entry 7055559

Structure parameters

• Formula: C44 H38 N4 Ni2 O6
• Calculated formula: C44 H38 N4 Ni2 O6
• SMILES: c12ccccc2[N]2=C(C)C=C(O[Ni]2([n]2ccc(c3cc[n](cc3)[Ni]34[N](c5c(cccc5)O3)=C(C=C(O4)c3ccc(OC)cc3)C)cc2)O1)c1ccc(OC)cc1
• Title of publication: Efficient preparation of multimetallic ONO-based Schiff base complexes of nickel(ii) and copper(ii)
• Authors of publication: Novoa, Néstor; Roisnel, Thierry; Dorcet, Vincent; Cador, Olivier; Manzur, Carolina; Carrillo, David; Hamon, Jean-René
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5920
• a: 16.33 ± 0.0018 Å
• b: 5.5498 ± 0.0005 Å
• c: 21.308 ± 0.003 Å
• α: 90°
• β: 110.785 ± 0.006°
• γ: 90°
• Cell volume: 1805.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1231
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No