Information card for entry 2020519

Structure parameters

• Chemical name: Bis(acetato-κ^2^<i>O</i>,<i>O</i>'){5,6-dimethyl-2-(pyridin-2-yl-κ<i>N</i>)-1-[(pyridin-2-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II) ethanol monosolvate
• Formula: C26 H30 N4 O5 Zn
• Calculated formula: C26 H30 N4 O5 Zn
• Title of publication: Structural and spectroscopic characterization of two new blue luminescent pyridylbenzimidazole zinc(II) complexes
• Authors of publication: DeStefano, Matthew R.; Geiger, David K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• a: 16.0866 ± 0.0017 Å
• b: 8.715 ± 0.0008 Å
• c: 18.745 ± 0.002 Å
• α: 90°
• β: 94.193 ± 0.004°
• γ: 90°
• Cell volume: 2620.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes