Information card for entry 8105546

Structure parameters

• Formula: C17 H21 N4 O5.5 Zn
• Calculated formula: C17 H21 N4 O5.5 Zn
• Title of publication: Crystal structure of catena-poly[(μ2-pentane-1,5-dicarboxylato-κ2 O:O′)-(μ2-2-[(1H-imidazol-1-yl)methyl]-6-methyl-1H-benzimidazole-κ2 N:N′)zinc(II)] sesquihydrate, C17H21N4O5.5Zn
• Authors of publication: Liu, Yan-Ju; Wang, Na; Liu, Ya; Cheng, Fang-Rong; Meng, Xiang-Ru
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 73 - 75
• a: 9.4009 ± 0.0012 Å
• b: 13.816 ± 0.0018 Å
• c: 15.1299 ± 0.0019 Å
• α: 90°
• β: 95.507 ± 0.003°
• γ: 90°
• Cell volume: 1956 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No