Information card for entry 2020518

Structure parameters

• Chemical name: Dichlorido(dimethylformamide-κ<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) dimethylformamide monosolvate
• Formula: C26 H32 Cl2 N6 O2 Zn
• Calculated formula: C26 H32 Cl2 N6 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)([O]=CN(C)C)[n]2c3cc(c(cc3n(c2c2[n]1cccc2)Cc1ncccc1)C)C.O=CN(C)C
• 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: 11.2504 ± 0.0011 Å
• b: 11.7298 ± 0.0011 Å
• c: 12.6588 ± 0.0013 Å
• α: 71.518 ± 0.004°
• β: 71.087 ± 0.003°
• γ: 65.76 ± 0.003°
• Cell volume: 1407.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes