Information card for entry 7013101

Structure parameters

• Common name: Bis(1,2; 2,3; 1,3-tri-m-carbonyl-1,2,3-tris(triethylphosphine)tri-palladium)-thallium(i) (6 Pd-Pd) (6 Tl-Pd) hexafluorophosphate
• Chemical name: Bis[1,2; 2,3; 1,3-tri-m-carbonyl-1,2,3-tris(triethylphosphine)tri-palladium]-thallium(I) (6 Pd-Pd) (6 Tl-Pd) hexafluorophosphate
• Formula: C42 H90 F6 O6 P7 Pd6 Tl
• Calculated formula: C42 H90 F6 O6 P7 Pd6 Tl
• SMILES: [Tl]1234([Pd]567([Pd]81([Pd]25([P](CC)(CC)CC)(C8=O)C7=O)([P](CC)(CC)CC)C6=O)[P](CC)(CC)CC)[Pd]125([Pd]63([Pd]41([P](CC)(CC)CC)(C6=O)C5=O)([P](CC)(CC)CC)C2=O)[P](CC)(CC)CC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Formation of thallium(i) sandwich M3TlM3 clusters, [(μ6-Tl)M6(μ2-CO)6(PEt3)6]+ (M = Pt, Pd), with two unconnected triangular M3(μ2-CO)3(PEt3)3 units: implications of comparative analysis of isostructural 5d106s2 Tl(i)‒(M3)2 sandwiches (M = Pt, Pd) with known 5d10 Au(i)‒(Pt3)2 sandwich
• Authors of publication: Mednikov, Evgueni G.; Dahl, Lawrence F.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 3117 - 3125
• a: 22.949 ± 0.003 Å
• b: 24.623 ± 0.003 Å
• c: 22.48 ± 0.002 Å
• α: 90°
• β: 94.841 ± 0.002°
• γ: 90°
• Cell volume: 12658 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0356
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No