Information card for entry 7013722

Structure parameters

• Common name: [Co(BuN4S2amp)]Cl2(ClO4).2H2O
• Formula: C14 H38 Cl3 Co N4 O6 S2
• Calculated formula: C14 H34 Cl3 Co N4 O6 S2
• SMILES: [Co]12345[S](CCCC[S]1CC(C)(C[NH2]3)C[NH2]5)CC(C)(C[NH2]4)C[NH2]2.[Cl-].[Cl-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Embracing ligands. Synthesis, characterisation and the correlation between 59Co NMR and ligand field parameters of Co(III) complexes with a new class of nitrogen-thioether multidentate ligand.
• Authors of publication: Sharrad, Clint A.; Cavigliasso, Germán E; Stranger, Robert; Gahan, Lawrence R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 767 - 777
• a: 10.873 ± 0.001 Å
• b: 18.484 ± 0.001 Å
• c: 13.636 ± 0.002 Å
• α: 90°
• β: 112.311 ± 0.009°
• γ: 90°
• Cell volume: 2535.4 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1797
• Weighted residual factors for significantly intense reflections: 0.1667
• 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