Information card for entry 7014060

Structure parameters

• Common name: [Co(N4samp)Cl](ZnCl4)
• Formula: C10 H26 Cl5 Co N4 S Zn
• Calculated formula: C10 H26 Cl5 Co N4 S Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Co]1234(Cl)[S](CC(C[NH2]3)(C)C[NH2]2)CC(C[NH2]4)(C[NH2]1)C
• Title of publication: Synthesis, characterization and DFT studies of the cobalt(III) complex of a tetrapodal pentadentate N4S donor 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: 8
• Pages of publication: 1166 - 1172
• a: 7.861 ± 0.002 Å
• b: 15.432 ± 0.002 Å
• c: 16.856 ± 0.002 Å
• α: 90°
• β: 98.64 ± 0.02°
• γ: 90°
• Cell volume: 2021.6 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.1518
• Weighted residual factors for significantly intense reflections: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No