Information card for entry 2229885

Structure parameters

• Chemical name: [4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline- κ^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato- κ^2^<i>O</i>,<i>O'</i>)nickel(II)
• Formula: C22 H11 Br F12 N2 Ni O4
• Calculated formula: C22 H11 Br F12 N2 Ni O4
• SMILES: [Ni]123([N](c4ccc(Br)cc4)=Cc4[n]1cccc4)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: [4-Bromo-<i>N</i>-(pyridin-2-ylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Harding, Phimphaka; Harding, David J.; Soponrat, Nitisastr; Adams, Harry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m404 - m405
• a: 31.251 ± 0.008 Å
• b: 10.006 ± 0.003 Å
• c: 17.653 ± 0.005 Å
• α: 90°
• β: 103.952 ± 0.005°
• γ: 90°
• Cell volume: 5357 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes