Information card for entry 2232771

Structure parameters

• Chemical name: Tetraaquabis[1-(3-carboxyphenyl)-4,4'-bipyridin-1-ium-κ<i>N</i>^1'^]zinc bis(4,5-carboxybenzene-1,2-dicarboxylate) 2.5-hydrate
• Formula: C54 H47 N4 O26.5 Zn
• Calculated formula: C54 H47 N4 O26.5 Zn
• Title of publication: Tetraaquabis[1-(3-carboxyphenyl)-4,4'-bipyridin-1-ium-κ<i>N</i>^1'^]zinc bis(4,5-carboxybenzene-1,2-dicarboxylate) 2.5-hydrate
• Authors of publication: Zhang, Jie; Tan, Yi; Fu, Zhiyong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1701 - m1702
• a: 7.5476 ± 0.0002 Å
• b: 19.5528 ± 0.0004 Å
• c: 19.2752 ± 0.0004 Å
• α: 90°
• β: 110.431 ± 0.002°
• γ: 90°
• Cell volume: 2665.63 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0376
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes