Information card for entry 2311385

Structure parameters

• Chemical name: Hexakis[μ~3~-1,2-bis(trifluoromethyl)ethene-1,2-dithiolato]-<i>octahedro</i>-hexapalladium(II) benzene 2.5-solvate
• Formula: C39 H15 F36 Pd6 S12
• Calculated formula: C39 H15 F36 Pd6 S12
• Title of publication: <i>C</i>₂-isomer of [Pd(tfd)]₆ [tfd is S₂C₂(CF₃)₂] as its benzene solvate: a new member of the small but growing class of homoleptic palladium(II) monodi-thio-lenes in the form of hexa-meric cubes.
• Authors of publication: Moscattini, Joshua; Lough, Alan J.; Fekl, Ulrich
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 7
• Pages of publication: 957 - 962
• a: 15.6367 ± 0.0015 Å
• b: 17.897 ± 0.0017 Å
• c: 22.532 ± 0.002 Å
• α: 90°
• β: 104.502 ± 0.002°
• γ: 90°
• Cell volume: 6104.7 ± 1 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No