Information card for entry 2231920

Structure parameters

• Chemical name: Poly[[[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-2,6-dimethylpyridine-3,5-dicarboxylato- κ^2^<i>O</i>^3^:<i>O</i>^5^)zinc] dihydrate]
• Formula: C19 H25 N5 O6 Zn
• Calculated formula: C19 H23 N5 O6 Zn
• Title of publication: Poly[[[μ~2~-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazole)-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ~2~-2,6-dimethylpyridine-3,5-dicarboxylato-κ^2^<i>O</i>^3^:<i>O</i>^5^)zinc] dihydrate]
• Authors of publication: Yue, Yu-Mei; Qian, Lei; Zhu, Zheng-Hao; Wang, Cheng; Gao, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1471 - m1472
• a: 17.8088 ± 0.0012 Å
• b: 9.4003 ± 0.0004 Å
• c: 15.5798 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes