Information card for entry 2230460

Structure parameters

• Chemical name: Bis[1,3-bis(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide disolvate
• Formula: C58 H62 Cd N16 O18
• Calculated formula: C58 H62 Cd N16 O18
• SMILES: [Cd]1234([O](Cc5[n]1c1ccccc1n5CC)Cc1[n]3c3ccccc3n1CC)[O](Cc1[n]2c2ccccc2n1CC)Cc1n(c2c([n]41)cccc2)CC.N(=O)(=O)c1cc(N(=O)=O)c([O-])c(c1)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-ethyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide disolvate
• Authors of publication: Wu, Huilu; Liu, Bin; Kou, Fan; Jia, Fei; Kong, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m768
• a: 14.1182 ± 0.0003 Å
• b: 14.3444 ± 0.0003 Å
• c: 16.0971 ± 0.0004 Å
• α: 98.287 ± 0.001°
• β: 107.969 ± 0.001°
• γ: 95.526 ± 0.001°
• Cell volume: 3034.05 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes