Information card for entry 2214764

Structure parameters

• Chemical name: <i>catena</i>-Poly[aquabis(pyrazine-2-carboxylato-κ^2^N^1^,O)zinc(II)]- μ-pyrazine-2-carboxylato-κ^3^N^1^,O:N^4^]
• Formula: C10 H8 N4 O5 Zn
• Calculated formula: C10 H8 N4 O5 Zn
• SMILES: [Zn]12([OH2])([n]3ccncc3C(=O)O1)[n]1cc[n](cc1C(=O)O2)[Zn]12([OH2])([n]3ccncc3C(=O)O1)[n]1ccncc1C(=O)O2
• Title of publication: <i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)zinc(II)]-μ-pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]
• Authors of publication: Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2143 - m2143
• a: 7.8932 ± 0.0006 Å
• b: 9.7615 ± 0.001 Å
• c: 14.8921 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.43 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0962
• 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