Information card for entry 4342436

Structure parameters

• Formula: C27 H33 P S Te
• Calculated formula: C27 H33 P S Te
• SMILES: [Te](c1ccc2c3c(ccc(P(=S)(C(C)C)C(C)C)c13)CC2)c1c(cc(cc1C)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: 8.002 ± 0.0006 Å
• b: 12.5836 ± 0.001 Å
• c: 25.0953 ± 0.0019 Å
• α: 90°
• β: 91.151 ± 0.0019°
• γ: 90°
• Cell volume: 2526.4 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0247
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No