Information card for entry 7133280

Structure parameters

• Formula: C52.5 H86 Be Cl N2 O6 Rb Si2
• Calculated formula: C49 H82 Be Cl N2 O6 Rb Si2
• Title of publication: Alkali metal reduction of crown ether encapsulated alkali metal cations.
• Authors of publication: Pearce, Kyle G.; Neale, Samuel E.; Mahon, Mary F.; McMullin, Claire L.; Hill, Michael S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 64
• Pages of publication: 8391 - 8394
• a: 16.7051 ± 0.0003 Å
• b: 21.103 ± 0.0003 Å
• c: 17.1977 ± 0.0003 Å
• α: 90°
• β: 103.361 ± 0.002°
• γ: 90°
• Cell volume: 5898.57 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No