Information card for entry 4309796

Structure parameters

• Common name: [MeB(3-(CF3)Pz)3]Tl
• Formula: C13 H9 B F9 N6 Tl
• Calculated formula: C13 H9 B F9 N6 Tl
• SMILES: FC(F)(F)c1ccn([B](C)(n2ccc(C(F)(F)F)[n]23)n2ccc(C(F)(F)F)[n]24)[n]1[Tl]34
• Title of publication: Fluorinated Tris(pyrazolyl)borate Ligands without the Problematic Hydride Moiety: Isolation of Copper(I) Ethylene and Copper(I)-Tin(II) Complexes Using [MeB(3-(CF3)Pz)3]-
• Authors of publication: H. V. Rasika Dias; Xiaoyu Wang; Himashinie V. K. Diyabalanage
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 7322 - 7324
• a: 15.9205 ± 0.0009 Å
• b: 13.5795 ± 0.0008 Å
• c: 8.4035 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1816.77 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No