Information card for entry 7018236

Structure parameters

• Formula: C25.5 H21.5 Br2 N0.5 O1.5 Te2
• Calculated formula: C25.5 H21.5 Br2 N0.5 O1.5 Te2
• SMILES: [Te]1(Br)(O[Te](Br)(c2ccc3c4c(ccc1c24)CC3)c1ccccc1)c1ccccc1.O=CN(C)C
• 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: 11.599 ± 0.003 Å
• b: 23.952 ± 0.006 Å
• c: 17.983 ± 0.004 Å
• α: 90°
• β: 95.095 ± 0.007°
• γ: 90°
• Cell volume: 4976 ± 2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No