Information card for entry 2242903

Structure parameters

• Chemical name: Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II))
• Formula: C36 H40 N4 Ni2 O8
• Calculated formula: C36 H40 N4 Ni2 O8
• SMILES: [Ni]12([N](=Cc3c(O1)c(OC)ccc3)C)Oc1c(OC)cccc1C=[N]2C
• Title of publication: Crystal structure of bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}nickel(II)) involving different coordination modes of the same Schiff base ligand
• Authors of publication: Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 619 - 622
• a: 10.2301 ± 0.0002 Å
• b: 15.2456 ± 0.0003 Å
• c: 21.5426 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3359.87 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes