Information card for entry 2230711

Structure parameters

• Chemical name: Poly[[hexaaquabis(μ~3~-benzene-1,3,5-tricarboxylato- κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')trizinc] hexahydrate]
• Formula: C42 H54 N4 O24 Zn3
• Calculated formula: C42 H54 N4 O24 Zn3
• Title of publication: Poly[[hexaaquabis(μ~3~-benzene-1,3,5-tricarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^5^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')trizinc] hexahydrate]
• Authors of publication: Shan, Wen-Wen; Xiong, Han-Lin; Mei, Chong-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m921 - m922
• a: 10.2454 ± 0.001 Å
• b: 10.5799 ± 0.001 Å
• c: 12.658 ± 0.001 Å
• α: 68.91 ± 0.008°
• β: 74.848 ± 0.008°
• γ: 81.834 ± 0.008°
• Cell volume: 1233.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes