Information card for entry 7020731

Structure parameters

• Formula: C44 H66 Cl2 F12 O14 Pd6
• Calculated formula: C44 H66 Cl2 F12 O14 Pd6
• Title of publication: Palladium ketonyl carboxylate complexes - potential models of polynuclear intermediates in olefin oxidation: formation and X-ray structure of Pd(6)(μ-Cl)(2+x)(μ-CF(3)CO(2))(4)(μ,κ(2)-CH(2)C(O)CMe(3))(6-x) (x = 0, 2).
• Authors of publication: Shishilov, Oleg N.; Podobedov, Roman E.; Rezinkova, Yaroslavna N.; Churakov, Andrei V.; Efimenko, Inessa A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1338 - 1341
• a: 25.986 ± 0.004 Å
• b: 14.314 ± 0.002 Å
• c: 19.812 ± 0.003 Å
• α: 90°
• β: 113.231 ± 0.002°
• γ: 90°
• Cell volume: 6771.9 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0682
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.592
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No