Information card for entry 2014503

Structure parameters

• Chemical name: {4-Bromo-2-[2-(5-bromo-2- oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato- κ^4^O,N,N',O'}nickel(II)
• Formula: C21 H14 Br2 N2 Ni O2
• Calculated formula: C21 H14 Br2 N2 Ni O2
• SMILES: Brc1ccc2O[Ni]34Oc5ccc(cc5C=[N]4Cc4c([N]3=Cc2c1)cccc4)Br
• Title of publication: {4-Bromo-2-[2-(5-bromo-2-oxidobenzylideneaminomethyl)phenyliminomethyl]phenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}nickel(II)
• Authors of publication: Santu Chakraborty; B. Samanta; C. R. Chowdhury; S. Mitra; Alok K. Mukherjee
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m578 - m580
• a: 7.228 ± 0.005 Å
• b: 10.834 ± 0.007 Å
• c: 12.831 ± 0.008 Å
• α: 100.09 ± 0.01°
• β: 99.83 ± 0.01°
• γ: 95.63 ± 0.01°
• Cell volume: 966.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes