Information card for entry 2206127

Structure parameters

• Chemical name: Pyridine{4,4',6,6'-tetrabromo-2,2'-[1,2- phenylenebis(nitrilomethylidyne)]diphenolato}zinc(II) dimethylformamide solvate
• Formula: C28 H22 Br4 N4 O3 Zn
• Calculated formula: C28 H22 Br4 N4 O3 Zn
• SMILES: [Zn]123([N](=Cc4c(O2)c(Br)cc(Br)c4)c2ccccc2[N]1=Cc1cc(Br)cc(Br)c1O3)[n]1ccccc1.N(C)(C)C=O
• Title of publication: Pyridine{4,4',6,6'-tetrabromo-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}zinc(II) dimethylformamide solvate
• Authors of publication: Yu Wu; Zongqiu Hu; Mingtian Li; Xucheng Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1352 - m1353
• a: 8.2289 ± 0.0009 Å
• b: 15.2809 ± 0.0017 Å
• c: 23.793 ± 0.003 Å
• α: 90°
• β: 95.946 ± 0.002°
• γ: 90°
• Cell volume: 2975.8 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes