Information card for entry 4342439

Structure parameters

• Formula: C33.5 H30 Cl P Se Te
• Calculated formula: C33.5 H30 Cl P Se Te
• SMILES: C1Cc2c3c1ccc(c3c(cc2)P(c1ccccc1)(c1ccccc1)=[Se])[Te]c1c(cc(cc1C)C)C.C(Cl)Cl
• 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: 12.718 ± 0.004 Å
• b: 16.843 ± 0.006 Å
• c: 16.874 ± 0.006 Å
• α: 65.06 ± 0.03°
• β: 68.53 ± 0.01°
• γ: 68.94 ± 0.02°
• Cell volume: 2958.7 ± 1.9 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 all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No