Information card for entry 2236174

Structure parameters

• Chemical name: Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato- κ^2^<i>N</i>,<i>O</i>}zinc
• Formula: C28 H18 Br4 F2 N2 O2 Zn
• Calculated formula: C28 H18 Br4 F2 N2 O2 Zn
• SMILES: Brc1c2c(cc(c1)Br)C=[N]([Zn]1([N](=Cc3c(c(cc(c3)Br)Br)O1)Cc1ccc(F)cc1)O2)Cc1ccc(F)cc1
• Title of publication: Bis{2,4-dibromo-6-[(<i>E</i>)-(4-fluorobenzyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}zinc
• Authors of publication: Zhang, Dingjun; Yu, Hong; Jin, Yue-Bao; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1424
• a: 14.6277 ± 0.0011 Å
• b: 9.8273 ± 0.0003 Å
• c: 13.0879 ± 0.001 Å
• α: 90°
• β: 133.49 ± 0.013°
• γ: 90°
• Cell volume: 1364.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes