Information card for entry 2202803

Structure parameters

• Formula: C7.5 H10.75 N1.25 O9 Zn
• Calculated formula: C7.5 H4 N1.25 O9 Zn
• Title of publication: Triaqua(4-hydroxypyridine-2,6-dicarboxylato-κ^3^<i>N,O,O</i>')zinc(II)‒acetonitrile‒water(1/0.25/1)
• Authors of publication: Guo-Wei Zhou; Guo-Cong Guo; Bing Liu; Ming-Sheng Wang; Li-Zhen Cai; Guang-Hua Guo; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m926 - m928
• a: 14.6504 ± 0.0003 Å
• b: 7.038 ± 0.0002 Å
• c: 22.6423 ± 0.0005 Å
• α: 90°
• β: 91.866 ± 0.001°
• γ: 90°
• Cell volume: 2333.4 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No