Information card for entry 2230383

Structure parameters

• Chemical name: Poly[[aqua(μ~5~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)(μ~4~-1<i>H</i>- benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
• Formula: C18 H19 Ba2 N4 O13.5
• Calculated formula: C18 H19 Ba2 N4 O13.5
• Title of publication: Poly[[aqua(μ~5~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)dibarium] 4.5-hydrate]
• Authors of publication: Zhang, Heng-Qiang; Zheng, Xiu-Jun; Zhao, Chun-Xiang; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m671 - m672
• a: 6.9331 ± 0.0004 Å
• b: 9.595 ± 0.0004 Å
• c: 18.0179 ± 0.0007 Å
• α: 103.186 ± 0.001°
• β: 92.068 ± 0.002°
• γ: 93.032 ± 0.002°
• Cell volume: 1163.94 ± 0.09 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: 0.0308
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes