Information card for entry 2231984

Structure parameters

• Chemical name: Bis[1,3-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide monosolvate
• Formula: C59 H63 Cd N15 O17
• Calculated formula: C59 H63 Cd N15 O17
• SMILES: [Cd]1234([O](Cc5n(c6c([n]25)cccc6)CCC)Cc2[n]3c3c(n2CCC)cccc3)[O](Cc2[n]1c1c(n2CCC)cccc1)Cc1[n]4c2c(n1CCC)cccc2.O=N(=O)c1cc(N(=O)=O)c([O-])c(c1)N(=O)=O.O=N(=O)c1cc(N(=O)=O)cc(c1[O-])N(=O)=O.C(=O)N(C)C
• Title of publication: Bis[1,3-bis(1-propyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium(II) dipicrate dimethylformamide monosolvate
• Authors of publication: Wu, Huilu; Kou, Fan; Jia, Fei; Liu, Bin; Yuan, Jingkun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1461
• a: 14.211 ± 0.006 Å
• b: 14.997 ± 0.007 Å
• c: 16.19 ± 0.007 Å
• α: 94.207 ± 0.004°
• β: 112.449 ± 0.004°
• γ: 97.986 ± 0.004°
• Cell volume: 3128 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes