Information card for entry 4501173

Structure parameters

• Formula: C20 H22 N6 O8 Zn
• Calculated formula: C20 H22 N6 O8 Zn
• SMILES: [Zn]1(ON(=O)=O)(ON(=O)=O)[n]2c3c(n(c2)CCOCCOCCn2c4c([n]1c2)cccc4)cccc3
• Title of publication: Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions
• Authors of publication: Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 4933
• a: 10.0385 ± 0.0007 Å
• b: 12.6413 ± 0.0009 Å
• c: 19.0514 ± 0.0013 Å
• α: 90°
• β: 100.067 ± 0.001°
• γ: 90°
• Cell volume: 2380.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No