Information card for entry 2231551

Structure parameters

• Chemical name: Poly[μ-aqua-diaqua(μ~3~-1<i>H</i>-benzimidazole-5-carboxylato- κ^3^<i>N</i>^3^:<i>O</i>,<i>O</i>')(μ~2~-1<i>H</i>-benzimidazole-5- carboxylato-κ^3^<i>N</i>^3^:<i>O</i>:<i>O</i>')-μ~5~-sulfato-μ~4~-sulfato- tricadmium]
• Formula: C16 H16 Cd3 N4 O15 S2
• Calculated formula: C16 H16 Cd3 N4 O15 S2
• Title of publication: Poly[μ-aqua-diaqua(μ~3~-1<i>H</i>-benzimidazole-5-carboxylato-κ^3^<i>N</i>^3^:<i>O</i>,<i>O</i>')(μ~2~-1<i>H</i>-benzimidazole-5-carboxylato-κ^3^<i>N</i>^3^:<i>O</i>:<i>O</i>')-μ~5~-sulfato-μ~4~-sulfato-tricadmium]
• Authors of publication: Chen, Lai-Chen; Huo, Shu-Min; Chen, Hao-Zhao; Yang, Ya-Qing; Zeng, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1312 - m1313
• a: 6.5932 ± 0.0008 Å
• b: 13.0463 ± 0.0016 Å
• c: 13.5933 ± 0.0016 Å
• α: 104.313 ± 0.001°
• β: 96.662 ± 0.001°
• γ: 97.646 ± 0.001°
• Cell volume: 1109.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes