Information card for entry 2234852

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(pyrazine-2-carboxamide- κ^2^<i>N</i>^1^,<i>O</i>)zinc]-μ-pyrazine-2-carboxamide- κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] dinitrate]
• Formula: C10 H12 N8 O9 Zn
• Calculated formula: C10 H12 N8 O9 Zn
• SMILES: [Zn]12([n]3ccncc3C(N)=[O]1)([n]1ccncc1C(N)=[O]2)([OH2])[n]1cc[n]2[Zn]3([n]4ccncc4C(N)=[O]3)([O]=C(c2c1)N)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[aqua(pyrazine-2-carboxamide-κ^2^<i>N</i>^1^,<i>O</i>)zinc]-μ-pyrazine-2-carboxamide-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^] dinitrate]
• Authors of publication: Shirvan, Sadif A.; Haydari Dezfuli, Sara
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m627 - m628
• a: 10.4889 ± 0.0011 Å
• b: 15.7477 ± 0.0016 Å
• c: 9.9332 ± 0.001 Å
• α: 90°
• β: 97.664 ± 0.008°
• γ: 90°
• Cell volume: 1626.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1293
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes