Information card for entry 7013145

Structure parameters

• Common name: (Co(EtN4S2amp))Cl(ClO4)2
• Formula: C12 H30 Cl3 Co N4 O8 S2
• Calculated formula: C12 H30 Cl3 Co N4 O8 S2
• SMILES: C12(C[NH2][Co]345([NH2]CC(C)(C[NH2]4)C[S]5CC[S]3C1)[NH2]C2)C.[O-]Cl(=O)(=O)=O.[Cl-].[O-]Cl(=O)(=O)=O
• Title of publication: Embracing ligands. A synthetic strategy towards new nitrogen‒thioether multidentate ligands and characterization of the cobalt(III) complexes
• Authors of publication: Clint A. Sharrad; Stefan R. Lüthi; Lawrence R. Gahan
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3693 - 3703
• a: 7.6249 ± 0.0005 Å
• b: 16.779 ± 0.003 Å
• c: 17.683 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2262.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No