Information card for entry 7018020

Structure parameters

• Formula: C12 H31 Cl2 F3 O3 P4 Pd2 S2
• Calculated formula: C12 H31 Cl2 F3 O3 P4 Pd2 S2
• SMILES: C1[P](C)(C)[Pd]2([P](C[P](C)(C)[Pd]([P]1(C)C)([S]2C)Cl)(C)C)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.
• Authors of publication: Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1991 - 2002
• a: 12.2968 ± 0.0002 Å
• b: 15.1722 ± 0.0001 Å
• c: 27.7363 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5174.75 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No