Information card for entry 7108813

Structure parameters

• Common name: palladium-thallium carbonylphosphine hexafluorophosphate
• Chemical name: tris(μ~3~-carbonyl)-hexakis(μ~2~-carbonyl)-hexakis (triphenylphosphine)-thallium-nona-palladium hexafluorophosphate tetrahydrofuran-methylenchloride solvate
• Formula: C124.26 H104.52 Cl1.32 F6 O10.65 P7 Pd9 Tl
• Calculated formula: C124.26 H104.52 Cl1.32 F6.12 O10.65 P7.01 Pd9 Tl
• Title of publication: How innocent is thallium(I)? Corrected formulations of [Tl2Pd14(CO)9(PMe3)11][PF6]2 and [TlPd9(CO)9(PPh3)6][PF6] clusters previously reported as corresponding Au2Pd14 and AuPd9 clusters
• Authors of publication: Evgueni G. Mednikov; Lawrence F. Dahl
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1085 - 1087
• a: 22.5771 ± 0.0008 Å
• b: 22.5771 ± 0.0008 Å
• c: 39.3024 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 17349.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No