Information card for entry 2233263

Structure parameters

• Chemical name: Bis(tetraphenylphosphonium) bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2-)- κ^2^<i>S</i>,<i>S</i>']zincate(II)
• Formula: C52 H40 F6 N2 O4 P2 S6 Zn
• Calculated formula: C52 H40 F6 N2 O4 P2 S6 Zn
• SMILES: [Zn]12(SC(=N\S(=O)(=O)C(F)(F)F)/S1)S/C(=N/S(=O)(=O)C(F)(F)F)S2.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(tetraphenylphosphonium) bis[<i>N</i>-(trifluoromethylsulfonyl)dithiocarbimato(2{-})-κ^2^<i>S</i>,<i>S</i>']zincate(II)
• Authors of publication: Pinto, Paula S.; Rubinger, Mayura M. M.; Guilardi, Silvana; Paixão, Drielly A.; Oliveira, Marcelo R. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m33 - m34
• a: 8.8461 ± 0.0001 Å
• b: 29.1869 ± 0.0005 Å
• c: 20.6963 ± 0.0003 Å
• α: 90°
• β: 93.578 ± 0.001°
• γ: 90°
• Cell volume: 5333.17 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• 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: 0.0857
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes