Information card for entry 2222992

Structure parameters

• Chemical name: Triaqua(2-{[(<i>E</i>)-5-formyl-2- oxidobenzylidene]amino}ethanesulfonato)cobalt(II) dihydrate
• Formula: C10 H19 Co N O10 S
• Calculated formula: C10 H15 Co N O10 S
• SMILES: [Co]12([N](=Cc3c(O1)ccc(c3)C=O)CCS(=O)(=O)O2)([OH2])([OH2])[OH2].O.O
• Title of publication: Triaqua(2-{[(<i>E</i>)-5-formyl-2-oxidobenzylidene]amino}ethanesulfonato)cobalt(II) dihydrate
• Authors of publication: Zeng, Ju-Lan; Jiang, Yi-Min; Sun, Li-Xian; Cao, Zhong; Yang, Dao-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1067 - m1068
• a: 7.748 ± 0.001 Å
• b: 11.267 ± 0.003 Å
• c: 18.941 ± 0.004 Å
• α: 79.04 ± 0.02°
• β: 78.81 ± 0.01°
• γ: 89.59 ± 0.02°
• Cell volume: 1591.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes