Information card for entry 2227702

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis[5-carboxy-4-carboxylato-2-(4-pyridinio)-1<i>H</i>- imidazol-1-ido-κ^2^<i>N</i>^3^,<i>O</i>^4^]zinc(II)
• Formula: C20 H16 N6 O10 Zn
• Calculated formula: C20 H16 N6 O10 Zn
• SMILES: C1(=O)O[Zn]2([OH2])(n3c1c(C(=O)O)nc3c1cc[nH+]cc1)(n1c(C(=O)O2)c(C(=O)O)nc1c1cc[nH+]cc1)[OH2]
• Title of publication: <i>trans</i>-Diaquabis[5-carboxy-4-carboxylato-2-(4-pyridinio)-1<i>H</i>-imidazol-1-ido-κ^2^<i>N</i>^3^,<i>O</i>^4^]zinc(II)
• Authors of publication: Li, Xia; Du, Ling-Zhi; Wu, Ben-Lai; Zhang, Hong-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1178 - m1179
• a: 7.4138 ± 0.0009 Å
• b: 20.204 ± 0.003 Å
• c: 13.4778 ± 0.0017 Å
• α: 90°
• β: 97.008 ± 0.001°
• γ: 90°
• Cell volume: 2003.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes