Information card for entry 2019982

Structure parameters

• Chemical name: <i>catena</i>-Poly[piperazine-1,4-diium [cobalt(II)-bis(μ-pyrazine-2,3-dicarboxylato)-κ^3^<i>N</>^1^,<i>O</i>^2^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>N</>^1^,<i>O</i>^2^] hexahydrate]
• Formula: C16 H28 Co N6 O14
• Calculated formula: C16 H28 Co N6 O14
• SMILES: [Co]12OC(=O)c3[n]1ccnc3C(=O)O[Co]13(OC(=O)c4[n]3ccnc4C(=O)[O-])(OC(=O)c3[n]1ccnc3C(=O)O2)OC(=O)c1nccnc1C(=O)[O-].O.O.O.O.O.O.[NH2+]1CC[NH2+]CC1.O.O.O.O.O.O.[NH2+]1CC[NH2+]CC1
• Title of publication: Structures of Co^II^ and Zn^II^ complexes of the proton-transfer compound derived from pyrazine-2,3-dicarboxylic acid and piperazine
• Authors of publication: Ghadermazi, Mohammad; Attar Gharamaleki, Jafar; Olmstead, Marilyn M.; Almasi, Mehdi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 6.5238 ± 0.0002 Å
• b: 17.3808 ± 0.0005 Å
• c: 10.6599 ± 0.0003 Å
• α: 90°
• β: 100.656 ± 0.003°
• γ: 90°
• Cell volume: 1187.87 ± 0.06 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes