Information card for entry 2209763

Structure parameters

• Chemical name: Dibromo‒[(<i>E</i>)‒2,4,6‒trimethyl‒<i>N</i>‒(1‒(pyridin‒2‒yl)\ ethylidene)benzenamine-N,N'](acetonitrile)nickel(II)
• Formula: C18 H21 Br2 N3 Ni
• Calculated formula: C18 H21 Br2 N3 Ni
• SMILES: [Ni]1(Br)(Br)([n]2ccccc2C(=[N]1c1c(cc(cc1C)C)C)C)[N]#CC
• Title of publication: (Acetonitrile)dibromo{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[1-(pyridin-2-yl)ethylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}nickel(II)
• Authors of publication: Huang, Bor-Hunn; Su, Sheng-Yuan; Lin, Chu-Chieh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1830 - m1831
• a: 14.4149 ± 0.0017 Å
• b: 8.8331 ± 0.0011 Å
• c: 16.0753 ± 0.0019 Å
• α: 90°
• β: 92.626 ± 0.003°
• γ: 90°
• Cell volume: 2044.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0828
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes