Information card for entry 4111569

Structure parameters

• Common name: (DmpTl)3
• Formula: C66 H63 Tl3
• Calculated formula: C66 H63 Tl3
• Title of publication: Synthesis and Reactivity of Dimeric Ar'TlTlAr' and Trimeric (Ar''Tl)3 (Ar', Ar'' = Bulky Terphenyl Group) Thallium(I) Derivatives: Tl(I)-Tl(I) Bonding in Species Ligated by Monodentate Ligands
• Authors of publication: Robert J. Wright; Andrew D. Phillips; Shirley Hino; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 4794 - 4799
• a: 21.2335 ± 0.0014 Å
• b: 14.0989 ± 0.001 Å
• c: 20.1848 ± 0.0013 Å
• α: 90°
• β: 117.601 ± 0.003°
• γ: 90°
• Cell volume: 5355 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No