Information card for entry 2230071

Structure parameters

• Chemical name: Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate
• Formula: C51 H45 Cd N15.5 O16.25
• Calculated formula: C51 H44.5 Cd N15.5 O16.25
• Title of publication: Bis[1,3-bis(1-methyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate
• Authors of publication: Wu, Huilu; Kou, Fan; Jia, Fei; Yuan, Jingkun; Liu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m647
• a: 28.5192 ± 0.0005 Å
• b: 18.1631 ± 0.0003 Å
• c: 25.4194 ± 0.0005 Å
• α: 90°
• β: 122.697 ± 0.001°
• γ: 90°
• Cell volume: 11080.7 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes