Information card for entry 4109014

Structure parameters

• Common name: Compound 6
• Formula: C107 H44 B4 Cl10 F60 Fe3 N2 Tl2
• Calculated formula: C107 H44 B4 Cl10 F60 Fe3 N2 Tl2
• 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: 10.0625 ± 0.0009 Å
• b: 11.6162 ± 0.001 Å
• c: 24.6374 ± 0.0019 Å
• α: 82.719 ± 0.007°
• β: 81.749 ± 0.007°
• γ: 84.366 ± 0.007°
• Cell volume: 2817.6 ± 0.4 ų
• Cell temperature: 180 ± 2 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: 0.1511
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No