Information card for entry 2216910

Structure parameters

• Chemical name: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexaaquacobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] tetrahydrate
• Formula: C34 H46 Co3 N16 O26
• Calculated formula: C34 H46 Co3 N16 O26
• SMILES: C1(=O)c2cccc3C(=O)O[Co]45([n]23)(O1)OC(=O)c1[n]4c(C(=O)O5)ccc1.Nc1nc(N)nc(N)[nH+]1.[OH2][Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.C1(=O)c2cccc3C(=O)O[Co]45([n]23)([n]2c(C(=O)O4)cccc2C(=O)O5)O1.Nc1nc(N)nc(N)[nH+]1.O.O
• Title of publication: Bis(2,4,6-triamino-1,3,5-triazin-1-ium) hexaaquacobalt(II) bis[bis(pyridine-2,6-dicarboxylato)cobaltate(II)] tetrahydrate
• Authors of publication: Aghabozorg, Hossein; Attar Gharamaleki, Jafar; Daneshvar, Shirin; Ghadermazi, Mohammad; Khavasi, Hamid Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m187 - m188
• a: 8.4003 ± 0.0006 Å
• b: 11.3014 ± 0.0007 Å
• c: 13.8794 ± 0.001 Å
• α: 95.901 ± 0.006°
• β: 106.017 ± 0.005°
• γ: 107.133 ± 0.005°
• Cell volume: 1185.73 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes