Information card for entry 7018232

Structure parameters

• Formula: C24 H18 Br2 S Te
• Calculated formula: C24 H18 Br2 S Te
• SMILES: [Te](Br)(Br)(c1ccc2c3c(ccc(Sc4ccccc4)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: 12.516 ± 0.005 Å
• b: 12.616 ± 0.005 Å
• c: 14.436 ± 0.006 Å
• α: 90°
• β: 112.682 ± 0.008°
• γ: 90°
• Cell volume: 2103.2 ± 1.5 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 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: 0.1251
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No