Information card for entry 2311458

Structure parameters

• Chemical name: Bis(acetato-κ<i>O</i>){5,6-dimethyl-2-(pyridin-2-yl)-1-[pyridin-2-yl)methyl]-\ 1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^}copper(II) ethanol hemisolvate
• Formula: C50 H54 Cu2 N8 O9
• Calculated formula: C50 H54 Cu2 N8 O9
• Title of publication: Structural characterization of two solvates of a luminescent copper(II) bis-(pyridine)-substituted benzimidazole complex.
• Authors of publication: Geiger, David K.; DeStefano, Matthew R.; Lewis, Robert A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1616 - 1621
• a: 11.2595 ± 0.0011 Å
• b: 14.013 ± 0.0015 Å
• c: 16.5004 ± 0.0018 Å
• α: 81.873 ± 0.004°
• β: 77.126 ± 0.004°
• γ: 80.348 ± 0.004°
• Cell volume: 2487.4 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No