Information card for entry 4077974

Structure parameters

• Common name: palladium-thallium carbonylphosphine acetylacetonate
• Formula: C131.5 H113 O14.5 P6 Pd9 Tl
• Calculated formula: C131.5 H113 O14.5 P6 Pd9 Tl
• SMILES: [Tl]123456(OC(=CC(=[O]6)C)C)[Pd]6789%10%11%12%13[Pd]%14%15%16%17%18%191([Pd]1%20%21%2226([Pd]4%14([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C%18=O)C%20=O)([Pd]58([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C%21=O)C%12=O)[Pd]2459([Pd]6%10%15([Pd]%1612([P](c1ccccc1)(c1ccccc1)c1ccccc1)([C]%224=O)[C]%196=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[C]%135=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Pd]37([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C%11=O)C%17=O.O=C(C)CC(=O)C.O1CCCC1.O=C(C)CC(=O)C
• Title of publication: High-Yield Synthesis of PPh3-Ligated Decanuclear Tl‒Pd Cluster, Pd9[Tl(acac)](CO)9(PPh3)6: Comparative Analysis of Tl(I)‒Pd(0) Bonding Connectivities with Known Tl‒Pd Clusters and Resulting Insight Concerning Their Dissimilar Dynamic Solution Behavior
• Authors of publication: Mednikov, Evgueni G.; Vo, Nicky; Fry, Charles G.; Dahl, Lawrence F.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2878
• a: 17.5842 ± 0.0008 Å
• b: 26.4171 ± 0.0013 Å
• c: 26.6018 ± 0.0013 Å
• α: 88.81 ± 0.001°
• β: 88.724 ± 0.001°
• γ: 80.675 ± 0.001°
• Cell volume: 12189 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No