Information card for entry 7108814

Structure parameters

• Common name: palladium-thallium carbonylphosphine cluster
• Formula: C45 H105 F12 O10 P13 Pd14 Tl2
• Calculated formula: C45 H105 F12 O10 P13 Pd14 Tl2
• 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: 15.4089 ± 0.0003 Å
• b: 29.418 ± 0.0006 Å
• c: 19.6119 ± 0.0004 Å
• α: 90°
• β: 90.015 ± 0.001°
• γ: 90°
• Cell volume: 8890.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No