Information card for entry 2221807

Structure parameters

• Chemical name: Bis(μ-2,2'-bi-1<i>H</i>-imidazole-1,1'-diacetato)bis[diaquacobalt(II)] hexahydrate
• Formula: C20 H36 Co2 N8 O18
• Calculated formula: C20 H36 Co2 N8 O18
• SMILES: [OH2][Co]123([n]4c5c6[n](ccn6CC(=O)O2)[Co]2([n]6c(c7n(cc[n]17)CC(=O)O2)n(cc6)CC(=O)O3)(OC(=O)Cn5cc4)([OH2])[OH2])[OH2].O.O.O.O.O.O
• Title of publication: Bis(μ-2,2'-bi-1<i>H</i>-imidazole-1,1'-diacetato)bis[diaquacobalt(II)] hexahydrate
• Authors of publication: Zhang, Tingting; Zhang, Tao; Xu, Feng; Liang, Hongze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m543 - m544
• a: 15.902 ± 0.003 Å
• b: 14.202 ± 0.003 Å
• c: 14.998 ± 0.003 Å
• α: 90°
• β: 110.06 ± 0.03°
• γ: 90°
• Cell volume: 3181.7 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes