Information card for entry 7042625

Structure parameters

• Formula: C43.78 H34 Cl3.56 N6 O6.22 Te6
• Calculated formula: C43.78 H34 Cl3.56 N6 O6.22 Te6
• 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: 14.4246 ± 0.0007 Å
• b: 14.4246 ± 0.0007 Å
• c: 21.3472 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3846.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No