Information card for entry 4347214

Structure parameters

• Formula: C14 H20 Cl4 Co N2 S2
• Calculated formula: C14 H20 Cl4 Co N2 S2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH3+]c1ccc(SC)cc1.[NH3+]c1ccc(SC)cc1
• Title of publication: Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.
• Authors of publication: Fliedel, Christophe; Rosa, Vitor; Vileno, Bertrand; Parizel, Nathalie; Choua, Sylvie; Gourlaouen, Christophe; Rosa, Patrick; Turek, Philippe; Braunstein, Pierre
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4183 - 4198
• a: 6.944 ± 0.0003 Å
• b: 12.4765 ± 0.0005 Å
• c: 12.7558 ± 0.0004 Å
• α: 69.658 ± 0.002°
• β: 82.329 ± 0.002°
• γ: 86.36 ± 0.002°
• Cell volume: 1026.75 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No