Information card for entry 2203247

Structure parameters

• Chemical name: Tetraaqua(2,2'-bipyridine)zinc(II) terephthalate
• Formula: C18 H20 N2 O8 Zn
• Calculated formula: C18 H20 N2 O8 Zn
• SMILES: [Zn]1([n]2ccccc2c2[n]1cccc2)([OH2])([OH2])([OH2])[OH2].O=C([O-])c1ccc(C(=O)[O-])cc1
• Title of publication: Tetraaqua(2,2'-bipyridine)zinc(II) terephthalate
• Authors of publication: Xu, Hongbin; Liang, Yucang; Su, Zhongmin; Zhao, Yahui; Shao, Kuizhan; Zhang, Hengjun; Yue, Shumei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m142 - m144
• a: 7.641 ± 0.002 Å
• b: 23.508 ± 0.005 Å
• c: 11.134 ± 0.002 Å
• α: 90°
• β: 102.4 ± 0.03°
• γ: 90°
• Cell volume: 1953.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes