Information card for entry 2202877

Structure parameters

• Chemical name: Bis(μ-pentafluorobenzenethiolato-κ^2^S:S)-trans- bis{(pentafluorobenzenethiolato-κS)[(pentafluorophenyl)diphenylphosphine- κP]palladium(II)}
• Formula: C60 H20 F30 P2 Pd2 S4
• Calculated formula: C60 H20 F30 P2 Pd2 S4
• SMILES: c1(c(c(F)c(c(c1F)F)F)F)S[Pd]1([P](c2c(c(c(c(c2F)F)F)F)F)(c2ccccc2)c2ccccc2)[S](c2c(F)c(c(c(c2F)F)F)F)[Pd]([P](c2c(c(c(c(c2F)F)F)F)F)(c2ccccc2)c2ccccc2)([S]1c1c(c(c(c(c1F)F)F)F)F)Sc1c(c(F)c(c(c1F)F)F)F
• Title of publication: Bis(μ-pentafluorobenzenethiolato-κ^2^<i>S</i>:<i>S</i>)-<i>trans</i>-bis{(pentafluorobenzenethiolato-κ<i>S</i>)[(pentafluorophenyl)diphenylphosphine-κ<i>P</i>]palladium(II)}
• Authors of publication: Villanueva, Luis; Bernès, Sylvain; Torrens, Hugo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1140 - m1142
• a: 26.807 ± 0.003 Å
• b: 14.3442 ± 0.0018 Å
• c: 20.3758 ± 0.0015 Å
• α: 90°
• β: 126.362 ± 0.006°
• γ: 90°
• Cell volume: 6309.4 ± 1.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes