Information card for entry 4342441

Structure parameters

• Formula: C27 H33 Au Br P Te
• Calculated formula: C27 H33 Au Br P Te
• SMILES: [Au](Br)[P](c1ccc2c3c(ccc([Te]c4c(cc(cc4C)C)C)c13)CC2)(C(C)C)C(C)C
• Title of publication: Peri-Substituted Phosphorus-Tellurium Systems-An Experimental and Theoretical Investigation of the P···Te through-Space Interaction.
• Authors of publication: Nordheider, Andreas; Hupf, Emanuel; Chalmers, Brian A.; Knight, Fergus R.; Bühl, Michael; Mebs, Stefan; Chęcińska, Lilianna; Lork, Enno; Camacho, Paula Sanz; Ashbrook, Sharon E.; Athukorala Arachchige, Kasun S.; Cordes, David B.; Slawin, Alexandra M. Z.; Beckmann, Jens; Woollins, J. Derek
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2435
• a: 11.816 ± 0.001 Å
• b: 15.691 ± 0.0017 Å
• c: 16.4486 ± 0.0016 Å
• α: 87.835 ± 0.006°
• β: 73.923 ± 0.006°
• γ: 82.403 ± 0.006°
• Cell volume: 2904.7 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No