Information card for entry 4342434

Structure parameters

• Formula: C33 H29 P Te
• Calculated formula: C33 H29 P Te
• SMILES: c1(ccccc1)P(c1ccccc1)c1ccc2CCc3ccc(c1c23)[Te]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: 12.048 ± 0.003 Å
• b: 8.8178 ± 0.0011 Å
• c: 24.867 ± 0.005 Å
• α: 90°
• β: 98.638 ± 0.018°
• γ: 90°
• Cell volume: 2611.8 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0568
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No