Information card for entry 2224299

Structure parameters

• Chemical name: Poly[diaquabis(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato- κ^4^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^6^)bis(μ~2~- 1<i>H</i>,3<i>H</i>-benzimidazolium-5,6-dicarboxylato- κ^3^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^6^)digadolinium(III)]
• Formula: C36 H22 Gd2 N8 O18
• Calculated formula: C36 H22 Gd2 N8 O18
• Title of publication: Poly[diaquabis(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^4^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^6^)bis(μ~2~-1<i>H</i>,3<i>H</i>-benzimidazolium-5,6-dicarboxylato-κ^3^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^6^)digadolinium(III)]
• Authors of publication: Huang, Jie-Xuan; Wu, Yi-Yi; Huang, Chun-De; Lian, Qing-Yang; Zeng, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1566 - m1567
• a: 18.7856 ± 0.0011 Å
• b: 12.7745 ± 0.0007 Å
• c: 15.4776 ± 0.0009 Å
• α: 90°
• β: 108.01 ± 0.001°
• γ: 90°
• Cell volume: 3532.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes