Information card for entry 2201160

Structure parameters

• Chemical name: Dibromo-2κ^2^Br-(N,N'-dimethylformamide-1κO)-(methanole-1κO) -μ-[2,2'-[1,3-propandiylbis(nitrilomethylidene)]diphenolato] 1κ^4^O,N,N',O':2κ^2^O,O'-nickel(II)zinc(II)
• Formula: C21 H27 Br2 N3 Ni O4 Zn
• Calculated formula: C21 H27 Br2 N3 Ni O4 Zn
• SMILES: c12ccccc1C=[N]1CCC[N](=Cc3ccccc3[O]3[Zn](Br)(Br)[O]24)[Ni]134([O]=CN(C)C)[OH]C
• Title of publication: {[μ-<i>N,N</i>'-Bis(salicylidene)-1,3-propanediaminato](<i>N,N</i>-dimethylformamide)(methanol)nickel(II)}dibromozinc(II)
• Authors of publication: Leyla Tatar; Atakol, Orhan; Arıcı, Cengiz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m154 - m156
• a: 10.5304 ± 0.0012 Å
• b: 14.4184 ± 0.0011 Å
• c: 16.3327 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2479.8 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes