Information card for entry 4111568

Structure parameters

• Common name: Dipp*TlB(C6F5)3
• Formula: C55 H45 B F15 Tl
• Calculated formula: C55 H45 B F15 Tl
• SMILES: [Tl]1([F]c2c([B]1(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c(F)c(F)c(F)c2F)c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.c1ccc(cc1)C
• 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: 13.0842 ± 0.0007 Å
• b: 23.2719 ± 0.0013 Å
• c: 16.1097 ± 0.0009 Å
• α: 90°
• β: 94.782 ± 0.003°
• γ: 90°
• Cell volume: 4888.2 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No