Information card for entry 7018231

Structure parameters

• Formula: C18 H13 Br I2 Te
• Calculated formula: C18 H13 Br I2 Te
• SMILES: I[Te](I)(c1ccc2c3c(ccc(Br)c13)CC2)c1ccccc1
• Title of publication: Exploring hypervalency and three-centre, four-electron bonding interactions: Reactions of acenaphthene chalcogen donors and dihalogen acceptors.
• Authors of publication: Knight, Fergus R.; Athukorala Arachchige, Kasun S.; Randall, Rebecca A. M.; Bühl, Michael; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 3154 - 3165
• a: 26.071 ± 0.007 Å
• b: 9.378 ± 0.002 Å
• c: 15.682 ± 0.004 Å
• α: 90°
• β: 105.281 ± 0.005°
• γ: 90°
• Cell volume: 3698.6 ± 1.6 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.267
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No