Information card for entry 7007646

Structure parameters

• Formula: C6 H15 Br2 P Te
• Calculated formula: C6 H15 Br2 P Te
• SMILES: [Te](Br)(Br)[P](CC)(CC)CC
• Title of publication: Synthesis, spectroscopic and structural characterization of tertiary phosphine tellurium dihalides Et3PTeX2(X = Cl, Br, I).
• Authors of publication: Konu, Jari; Chivers, Tristram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 32
• Pages of publication: 3941 - 3946
• a: 7.666 ± 0.0015 Å
• b: 13.669 ± 0.003 Å
• c: 11.269 ± 0.002 Å
• α: 90°
• β: 90.32 ± 0.03°
• γ: 90°
• Cell volume: 1180.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No