Information card for entry 7013141

Structure parameters

• Common name: (Co(EtN3OS2ampH))Cl(ClO4)2
• Formula: C12 H29 Cl3 Co N3 O9 S2
• Calculated formula: C12 H29 Cl3 Co N3 O9 S2
• SMILES: [Co]12345[S](CC(C[NH2]3)(C[NH2]4)C)CC[S]1CC(C[OH]2)(C[NH2]5)C.[Cl-].Cl(=O)(=O)(=O)[O-].Cl(=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: 17.731 ± 0.001 Å
• b: 16.766 ± 0.001 Å
• c: 7.62 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2265.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1364
• Weighted residual factors for significantly intense reflections: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No