Information card for entry 4331551

Structure parameters

• Formula: C16 H8 F10 O3 Tl2
• Calculated formula: C16 H8 F10 O3 Tl2
• SMILES: c1(F)c(F)c(F)c(F)c(F)c1[O]1[Tl][O](c2c(c(c(c(c2F)F)F)F)F)[Tl]1[O]1CCCC1
• Title of publication: Thallophilic Interactions in Aryloxide Compounds: the {Tl2(μ2-OAr)4} Structural Motif in (TlOAr)4and Tl2Cu(OAr)4Compounds
• Authors of publication: Childress, Montana V.; Millar, David; Alam, Todd M.; Kreisel, Kevin A.; Yap, Glenn P. A.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 3864 - 3877
• a: 14.288 ± 0.005 Å
• b: 19.253 ± 0.007 Å
• c: 7.439 ± 0.003 Å
• α: 90°
• β: 114.124 ± 0.004°
• γ: 90°
• Cell volume: 1867.6 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No