Information card for entry 2232655

Structure parameters

• Chemical name: Tetraaquabis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) naphthalene-1,5-disulfonate
• Formula: C18 H26 Co N4 O10 S2
• Calculated formula: C18 H26 Co N4 O10 S2
• SMILES: c1c(c2c(c(ccc2)S(=O)(=O)[O-])cc1)S(=O)(=O)[O-].c1c[nH]c([n]1[Co]([n]1cc[nH]c1C)([OH2])([OH2])([OH2])[OH2])C
• Title of publication: Tetraaquabis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) naphthalene-1,5-disulfonate
• Authors of publication: Jin, Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1686
• a: 8.026 ± 0.0016 Å
• b: 12.923 ± 0.003 Å
• c: 11.658 ± 0.002 Å
• α: 90°
• β: 99.27 ± 0.03°
• γ: 90°
• Cell volume: 1193.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes