Information card for entry 7134200

Structure parameters

• Formula: C65 H100 K N O3 Se2
• Calculated formula: C65 H100 K N O3 Se2
• Title of publication: Potassium-telluroether interactions: structural characterisation and computational analysis.
• Authors of publication: Gray, Novan A. G.; Britten, James F.; Emslie, David J. H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 15
• Pages of publication: 3143 - 3146
• a: 9.312 ± 0.005 Å
• b: 18.55 ± 0.009 Å
• c: 35.565 ± 0.016 Å
• α: 90°
• β: 95.108 ± 0.009°
• γ: 90°
• Cell volume: 6119 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2331
• Residual factor for significantly intense reflections: 0.1717
• Weighted residual factors for significantly intense reflections: 0.3846
• Weighted residual factors for all reflections included in the refinement: 0.411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No