Information card for entry 4347210

Structure parameters

• Formula: C58 H62 Cl8 Co2 N2 P4 S2
• Calculated formula: C58 H62 Cl8 Co2 N2 P4 S2
• SMILES: [P]1(c2ccccc2)(c2ccccc2)N(CCCSC)[P](c2ccccc2)(c2ccccc2)[Co]21([P](c1ccccc1)(c1ccccc1)N(CCC[S](C)[Co](Cl)(Cl)Cl)[P]2(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 11.7798 ± 0.0005 Å
• b: 15.9919 ± 0.0009 Å
• c: 16.8204 ± 0.0009 Å
• α: 93.135 ± 0.002°
• β: 95.456 ± 0.003°
• γ: 98.989 ± 0.003°
• Cell volume: 3107.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No