Information card for entry 4088043

Structure parameters

• Formula: C18 H22 I3 P Te
• Calculated formula: C18 H22 I3 P Te
• SMILES: I[I-]I.[Te]1[P+](c2ccc3c4c(ccc1c24)CC3)(C(C)C)C(C)C
• Title of publication: Intramolecularly Group 15 Stabilized Aryltellurenyl Halides and Triflates
• Authors of publication: Do, Truong Giang; Hupf, Emanuel; Nordheider, Andreas; Lork, Enno; Slawin, Alexandra M. Z.; Makarov, Sergey G.; Ketkov, Sergey Yu.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5341
• a: 9.8954 ± 0.0008 Å
• b: 15.5322 ± 0.0015 Å
• c: 14.5588 ± 0.0014 Å
• α: 90°
• β: 93.366 ± 0.002°
• γ: 90°
• Cell volume: 2233.8 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No