Information card for entry 2222400

Structure parameters

• Chemical name: Bis[1,3-bis(1-benzyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]zinc(II) dipicrate dimethylformamide disolvate
• Formula: C78 H70 N16 O18 Zn
• Calculated formula: C78 H70 N16 O18 Zn
• SMILES: [Zn]1234([O](Cc5[n]1c1ccccc1n5Cc1ccccc1)Cc1[n]2c2c(n1Cc1ccccc1)cccc2)[O](Cc1[n]3c2ccccc2n1Cc1ccccc1)Cc1[n]4c2c(n1Cc1ccccc1)cccc2.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.O=CN(C)C.O=CN(C)C
• Title of publication: Bis[1,3-bis(1-benzyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]zinc(II) dipicrate dimethylformamide disolvate
• Authors of publication: Wu, Huilu; Yun, Ruirui; Li, Ke; Tao, Sun; Wang, Kaitong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m786
• a: 13.3235 ± 0.0002 Å
• b: 18.163 ± 0.0003 Å
• c: 30.0144 ± 0.0005 Å
• α: 90°
• β: 97.267 ± 0.001°
• γ: 90°
• Cell volume: 7205 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes