Information card for entry 7013721

Structure parameters

• Common name: [Co(PrN4S2amp)]Cl(ClO4)2.2H2O
• Formula: C13 H36 Cl3 Co N4 O10 S2
• Calculated formula: C13 H32 Cl3 Co N4 O10 S2
• SMILES: [Co]12345[NH2]CC(C[S]5CCC[S]4CC(C[NH2]1)(C[NH2]2)C)(C[NH2]3)C.[Cl-].Cl(=O)(=O)(=O)[O-].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: 10.334 ± 0.001 Å
• b: 15.389 ± 0.002 Å
• c: 16.216 ± 0.003 Å
• α: 90°
• β: 99.81 ± 0.01°
• γ: 90°
• Cell volume: 2541.1 ± 0.6 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: 0.0702
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections: 0.1857
• Weighted residual factors for significantly intense reflections: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No