Information card for entry 7018230

Structure parameters

• Formula: C18 H13 Br3 Te
• Calculated formula: C18 H13 Br3 Te
• SMILES: [Te](Br)(Br)(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: 15.745 ± 0.007 Å
• b: 10.066 ± 0.004 Å
• c: 22.162 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512 ± 3 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.405
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No