Information card for entry 7134199

Structure parameters

• Formula: C55 H78 K N O2 Se2
• Calculated formula: C55 H78 K N O2 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: 9.342 ± 0.004 Å
• b: 18.461 ± 0.007 Å
• c: 29.14 ± 0.008 Å
• α: 90°
• β: 92.67 ± 0.01°
• γ: 90°
• Cell volume: 5020 ± 3 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: 0.2014
• Residual factor for significantly intense reflections: 0.1975
• Weighted residual factors for significantly intense reflections: 0.4378
• Weighted residual factors for all reflections included in the refinement: 0.4396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No