Information card for entry 7042622

Structure parameters

• Formula: C34 H26 N4 O4 Te4
• Calculated formula: C34 H26 N4 O4 Te4
• SMILES: c12c(C=[N]3O[Te]4c5c(C=[N]4O[Te]4c6c(C=[N]4O[Te]4c7c(C=[N]4O[Te]23)cccc7)cccc6)cccc5)cccc1.c1ccccc1
• Title of publication: Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides
• Authors of publication: Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.646 ± 0.003 Å
• b: 17.433 ± 0.002 Å
• c: 10.6572 ± 0.0015 Å
• α: 90°
• β: 95.384 ± 0.002°
• γ: 90°
• Cell volume: 3448.9 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No