Information card for entry 4109015

Structure parameters

• Common name: Compound 11b
• Formula: C50 H30 B2 Cl4 F30 N O6 Tl
• Calculated formula: C50 H30 B2 Cl4 F30 N O6 Tl
• Title of publication: Thallium(I) Sandwich, Multidecker, and Ether Complexes Stabilized by Weakly-Coordinating Anions: A Spectroscopic, Structural, and Theoretical Investigation
• Authors of publication: Yann Sarazin; David L. Hughes; Nikolas Kaltsoyannis; Joseph A. Wright; Manfred Bochmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 881 - 894
• a: 12.4566 ± 0.0003 Å
• b: 15.7031 ± 0.0006 Å
• c: 16.4745 ± 0.001 Å
• α: 73.71 ± 0.004°
• β: 87.071 ± 0.004°
• γ: 72.249 ± 0.003°
• Cell volume: 2943.8 ± 0.2 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No