Information card for entry 7129727

Structure parameters

• Formula: C64 H24 Cl2 F48 O3 Te4
• Calculated formula: C64 H24 Cl2 F48 O3 Te4
• Title of publication: Organotelluroxane molecular clusters assembled via Te⋯X− (X = Cl−, Br−) chalcogen bonding anion template interactions
• Authors of publication: Docker, Andrew; Martínez Martínez, Antonio J.; Kuhn, Heike; Beer, Paul D.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 27.1854 ± 0.0002 Å
• b: 27.3854 ± 0.0003 Å
• c: 49.0741 ± 0.0003 Å
• α: 90.1985 ± 0.0006°
• β: 105.112 ± 0.0006°
• γ: 118.445 ± 0.0009°
• Cell volume: 30660.7 ± 0.5 ų
• Cell temperature: 150.02 ± 0.16 K
• Ambient diffraction temperature: 150.02 ± 0.16 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: 0.1503
• Residual factor for significantly intense reflections: 0.1128
• Weighted residual factors for significantly intense reflections: 0.3156
• Weighted residual factors for all reflections included in the refinement: 0.3473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No