Information card for entry 2225854

Structure parameters

• Common name: Lead pyrazinate monohydrate
• Chemical name: Poly[aqua(μ-pyrazine-2-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)(μ- pyrazine-2-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')lead(II)]
• Formula: C10 H8 N4 O5 Pb
• Calculated formula: C10 H8 N4 O5 Pb
• SMILES: [Pb]123([OH2])(OC(=O)c4cncc[n]14)[O](C(=O)c1cncc[n]12)[Pb]12([OH2])(OC(=O)c4cncc[n]14)[O]3C(=O)c1cncc[n]12
• Title of publication: Poly[aqua(μ-pyrazine-2-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)(μ-pyrazine-2-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')lead(II)]
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m525 - m526
• a: 11.098 ± 0.002 Å
• b: 10.382 ± 0.002 Å
• c: 11.678 ± 0.002 Å
• α: 90°
• β: 114.13 ± 0.03°
• γ: 90°
• Cell volume: 1228 ± 0.5 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: 0.0999
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes