Information card for entry 2241351

Structure parameters

• Chemical name: Bis(bis{(<i>E</i>)-[(6-{(<i>E</i>)-[(4-fluorobenzyl)imino]methyl}pyridin-2-yl)methylidene](4-fluorophenyl)amine}nickel(II)) tetrabromide nonahydrate
• Formula: C42 H43 Br2 F4 N6 Ni O4.5
• Calculated formula: C42 H43 Br2 F4 N6 Ni O4.5
• SMILES: [Ni]1234([n]5c(cccc5C=[N]2Cc2ccc(F)cc2)C=[N]1Cc1ccc(F)cc1)[n]1c(cccc1C=[N]4Cc1ccc(F)cc1)C=[N]3Cc1ccc(F)cc1.[Br-].[Br-].O.O.O.O.O
• Title of publication: Crystal structure of bis(bis{(<i>E</i>)-[(6-{(<i>E</i>)-[(4-fluorobenzyl)imino]methyl}pyridin-2-yl)methylidene](4-fluorophenyl)amine}nickel(II)) tetrabromide nonahydrate
• Authors of publication: Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m226 - m227
• a: 12.1 ± 0.0016 Å
• b: 12.5686 ± 0.0016 Å
• c: 29.149 ± 0.004 Å
• α: 87.377 ± 0.002°
• β: 86.955 ± 0.002°
• γ: 72.339 ± 0.002°
• Cell volume: 4216 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes