Information card for entry 7006563

Structure parameters

• Formula: C25 H36 Cl Co N5 O8 S
• Calculated formula: C25 H36 Cl Co N5 O8 S
• SMILES: [Co]123([OH]c4c(OC)cccc4C=[N]1CC[N]2(C)C)([OH]c1c(OC)cccc1C=[N]3CCN(C)C)N=C=S.Cl(=O)(=O)(=O)[O-]
• Title of publication: Ligating properties of a potentially tetradentate Schiff base [(CH3)2NCH2CH2N=CHC6H3(OH)(OMe)] with zinc(II), cadmium(II), cobalt(II), cobalt(III) and manganese(III) ions: synthesis and structural studies.
• Authors of publication: Sen, Soma; Talukder, Pritha; Dey, Subrata K.; Mitra, Samiran; Rosair, Georgina; Hughes, David L.; Yap, Glenn P. A.; Pilet, Guillaume; Gramlich, V.; Matsushita, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 14
• Pages of publication: 1758 - 1767
• a: 9.229 ± 0.004 Å
• b: 29.702 ± 0.004 Å
• c: 10.646 ± 0.002 Å
• α: 90°
• β: 96.75 ± 0.02°
• γ: 90°
• Cell volume: 2898.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.304
• Residual factor for significantly intense reflections: 0.0964
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No