Information card for entry 2239896

Structure parameters

• Chemical name: 2-Phenyl-2λ^4^,3-ditelluratetracyclo[5.5.2.0^4,13^.0^10,14^]tetradeca-1(12),4,6,10,13-pentaen-2-ylium trifluoromethanesulfonate
• Formula: C19 H13 F3 O3 S Te2
• Calculated formula: C19 H13 F3 O3 S Te2
• SMILES: [Te+]1([Te]c2ccc3c4c(ccc1c24)CC3)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Crystal structure of 2-phenyl-2λ^4^,3-ditelluratetracyclo[5.5.2.0^4,13^.0^10,14^]tetradeca-1(12),4,6,10,13-pentaen-2-ylium trifluoromethanesulfonate
• Authors of publication: Diamond, Louise M.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1003 - o1004
• a: 10.687 ± 0.002 Å
• b: 15.264 ± 0.003 Å
• c: 12.242 ± 0.003 Å
• α: 90°
• β: 102.808 ± 0.006°
• γ: 90°
• Cell volume: 1947.3 ± 0.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes