Information card for entry 4342440

Structure parameters

• Formula: C29 H37 Cl6 P Pt Te
• Calculated formula: C29 H37 Cl6 P Pt Te
• SMILES: [Pt]1([Te](c2ccc3c4c(ccc([P]1(C(C)C)C(C)C)c24)CC3)c1c(cc(cc1C)C)C)(Cl)Cl.ClCCl.ClCCl
• 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: 11.107 ± 0.0008 Å
• b: 21.4081 ± 0.0016 Å
• c: 14.2556 ± 0.001 Å
• α: 90°
• β: 92.1678 ± 0.0017°
• γ: 90°
• Cell volume: 3387.3 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0163
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No