Information card for entry 7013142

Structure parameters

• Common name: (Co(dmatue)Cl)(ClO4)2.H2O
• Formula: C12 H27 Cl3 Co N3 O9 S2
• Calculated formula: C12 H25 Cl3 Co N3 O9 S2
• SMILES: [Co]1234([S]5CC[S]1C[C@@](C)(C[NH2]2)C=[N]3C[C@@](C)(C[NH2]4)C5)Cl.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.[Co]1234([S]5CC[S]1C[C@](C)(C[NH2]2)C=[N]3C[C@](C)(C[NH2]4)C5)Cl.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=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: 14.079 ± 0.004 Å
• b: 10.515 ± 0.002 Å
• c: 15.043 ± 0.002 Å
• α: 90°
• β: 96.18 ± 0.02°
• γ: 90°
• Cell volume: 2214 ± 0.8 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No