Information card for entry 2233229

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato- κ^4^<i>N</i>^1^,<i>O</i>^2^;<i>N</i>^4^,<i>O</i>^3^] nitrate]
• Formula: C6 H7 N3 O9 Zn
• Calculated formula: C6 H7 N3 O9 Zn
• SMILES: [Zn]12([n]3c(c(C(=O)O)ncc3)C(O1)=O)([OH2])([OH2])[n]1c(c3C(=O)O[Zn]([n]3cc1)([OH2])[OH2])C(=[O]2)O.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[(diaquazinc)-μ-3-carboxypyrazine-2-carboxylato-κ^4^<i>N</i>^1^,<i>O</i>^2^;<i>N</i>^4^,<i>O</i>^3^] nitrate]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m75
• a: 8.7431 ± 0.0017 Å
• b: 10.867 ± 0.002 Å
• c: 11.412 ± 0.002 Å
• α: 90°
• β: 100.48 ± 0.03°
• γ: 90°
• Cell volume: 1066.2 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes