Information card for entry 2019818

Structure parameters

• Chemical name: Methyltriphenylphosphonium bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cobaltate(1-)
• Formula: C31 H22 Cl4 Co P S4
• Calculated formula: C31 H22 Cl4 Co P S4
• SMILES: c12c(ccc(c1S[Co]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New isostructural transition metal complexes with a non-innocent dithiolate ligand
• Authors of publication: Herich, Peter; Fronc, Marek; Kožíšek, Jozef
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 159
• a: 13.4605 ± 0.00018 Å
• b: 14.6661 ± 0.0002 Å
• c: 16.2419 ± 0.00019 Å
• α: 90°
• β: 91.917 ± 0.0011°
• γ: 90°
• Cell volume: 3204.57 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes