Information card for entry 4072954

Structure parameters

• Common name: 4.2CH~2~Cl~2~
• Chemical name: (η^6^-Hexamethylbenzene)thallium(I) bis[tris(pentafluorophenyl)boron]amide bis(dichloromethane) solvate
• Formula: C50 H24 B2 Cl4 F30 N Tl
• Calculated formula: C50 H24 B2 Cl4 F30 N Tl
• SMILES: [Tl+].c1(c(c(c(c(c1C)C)C)C)C)C.c1(c(c(c(c(c1[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)[NH2][B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)F)F)F)F)F.C(Cl)Cl.C(Cl)Cl
• Title of publication: Mono(arene) Complexes of Thallium(I) Supported by a Weakly Coordinating Anion
• Authors of publication: Sarazin, Yann; Kaltsoyannis, Nikolas; Wright, Joseph A.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1811
• a: 11.4167 ± 0.0008 Å
• b: 13.8539 ± 0.0007 Å
• c: 33.436 ± 0.002 Å
• α: 90°
• β: 90.153 ± 0.005°
• γ: 90°
• Cell volume: 5288.4 ± 0.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.1032
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No