Information card for entry 2242845

Structure parameters

• Chemical name: (6,6'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>')nickel(II), [Ni(C~18~H~12~F~6~N~2~O~4~)]
• Formula: C18 H12 F6 N2 Ni O4
• Calculated formula: C18 H12 F6 N2 Ni O4
• SMILES: [Ni]123Oc4c(OC(F)(F)F)cccc4C=[N]2CC[N]3=Cc2c(c(OC(F)(F)F)ccc2)O1
• Title of publication: Crystal structure and Hirshfeld surfaces analysis of the nickel(II) complex of the Shiff base ligand 6,6'-{(1<i>E</i>,1'<i>E</i>)-[ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis[2-(trifluoromethoxy)phenol]
• Authors of publication: Demir Kanmazalp, Sibel; Meral, Seher; Dege, Necmi; Alaman Agar, Aysen; Fritsky, Igor O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 3
• Pages of publication: 328 - 331
• a: 7.0709 ± 0.0004 Å
• b: 19.8158 ± 0.0013 Å
• c: 13.1957 ± 0.0007 Å
• α: 90°
• β: 99.089 ± 0.004°
• γ: 90°
• Cell volume: 1825.71 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes