Information card for entry 2228967

Structure parameters

• Chemical name: Bis(2-amino-6-methylpyridinium) <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) octahydrate
• Formula: C24 H42 Co N8 O18
• Calculated formula: C24 H42 Co N8 O18
• SMILES: c1(ncc[n]2[Co]3([n]4c(c(ncc4)C(=O)[O-])C(=O)O3)([OH2])([OH2])OC(=O)c12)C(=O)[O-].c1c(C)[nH+]c(cc1)N.O.O.O.O.c1(cccc(C)[nH+]1)N.O.O.O.O
• Title of publication: Bis(2-amino-6-methylpyridinium) <i>trans</i>-diaquabis(pyrazine-2,3-dicarboxylato)cobaltate(II) octahydrate
• Authors of publication: Eshtiagh-Hosseini, Hossein; Alfi, Nafiseh; Mirzaei, Masoud; Fanwick, Philip E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m266 - m267
• a: 6.857 ± 0.0004 Å
• b: 10.2348 ± 0.0005 Å
• c: 13.6403 ± 0.001 Å
• α: 109.604 ± 0.004°
• β: 90.424 ± 0.005°
• γ: 105.524 ± 0.004°
• Cell volume: 863.89 ± 0.1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes