Information card for entry 7133282

Structure parameters

• Formula: C46 H82 Be Cl K N2 O8 Si2
• Calculated formula: C46 H82 Be Cl K N2 O8 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: 14.9011 ± 0.0003 Å
• b: 19.7649 ± 0.0003 Å
• c: 18.0278 ± 0.0003 Å
• α: 90°
• β: 93.633 ± 0.002°
• γ: 90°
• Cell volume: 5298.86 ± 0.16 ų
• Cell temperature: 149.9 ± 0.7 K
• Ambient diffraction temperature: 149.9 ± 0.7 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No