Information card for entry 7132383

Structure parameters

• Formula: C20.76 H22.51 Cs O2.19
• Calculated formula: C20.7567 H22.5133 Cs O2.1875
• Title of publication: Isolable rubidium and caesium derivatives of common organic carbonyl compounds.
• Authors of publication: Wacker, Jakoba; Lynch, Jennifer R.; Banerjee, Sumanta; Macdonald, Peter A.; Kennedy, Alan R.; Sarkar, Biprajit; Mulvey, Robert E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 1
• Pages of publication: 91 - 94
• a: 13.3301 ± 0.0002 Å
• b: 16.647 ± 0.0002 Å
• c: 28.3794 ± 0.0002 Å
• α: 73.521 ± 0.001°
• β: 83.579 ± 0.001°
• γ: 80.046 ± 0.001°
• Cell volume: 5934.82 ± 0.13 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No