Information card for entry 2239808

Structure parameters

• Chemical name: Bis{2-[(<i>E</i>)-(4-methoxylbenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)
• Formula: C30 H28 N2 Ni O4
• Calculated formula: C30 H28 N2 Ni O4
• SMILES: c12ccccc1C=[N](Cc1ccc(OC)cc1)[Ni]1(O2)[N](=Cc2c(cccc2)O1)Cc1ccc(OC)cc1
• Title of publication: Crystal structure of bis{2-[(<i>E</i>)-(4-methoxylbenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>^1^}nickel(II)
• Authors of publication: Bahron, Hadariah; Tajuddin, Amalina Mohd; Ibrahim, Wan Nazihah Wan; Fun, Hoong-Kun; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 104 - 106
• a: 12.1847 ± 0.0002 Å
• b: 5.6738 ± 0.0001 Å
• c: 17.762 ± 0.0003 Å
• α: 90°
• β: 95.682 ± 0.001°
• γ: 90°
• Cell volume: 1221.92 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0331
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes