Information card for entry 4323390

Structure parameters

• Formula: C70 H56 Cl4 F8 O3 P4 Pd2 S2
• Calculated formula: C70 H56 Cl4 F8 O3 P4 Pd2 S2
• Title of publication: Reactions of {[Pd(μ-SC6F5)(μ-dppm)Pd](μ-SC6F5)}4.2O(C2H5)2. Crystal Structures of the Complexes [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(SC6F5)].1.4CH2Cl2 and [(Ph3P)Pd(μ-SC6F5)(μ-dppm)Pd(PPh3)]SO3CF3.2CH2Cl2 and ab Initio MO Calculations on the Model Systems [(H3P)Pd(μ-H2PCH2PH2)(μ-SH)Pd(PH3)]+ and [(H3P)Pd(μ-H2PCH2PH2)Pd(PH3)]2+
• Authors of publication: Rafael Usón; Juan Forniés; Javier Fernández Sanz; Miguel A. Usón; Isabel Usón; Santiago Herrero
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1912 - 1922
• a: 27.804 ± 0.002 Å
• b: 17.659 ± 0.002 Å
• c: 27.795 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13647 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.1341
• Weighted residual factors for significantly intense reflections: 0.1222
• Goodness-of-fit parameter for all reflections: 1.005
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No