Information card for entry 7133277

Structure parameters

• Formula: C94 H162 Be2 Cl2 Li2 N4 O14 Si4
• Calculated formula: C94 H162 Be2 Cl2 Li2 N4 O14 Si4
• 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: 21.4089 ± 0.0002 Å
• b: 22.319 ± 0.0002 Å
• c: 22.5227 ± 0.0002 Å
• α: 90°
• β: 102.668 ± 0.001°
• γ: 90°
• Cell volume: 10499.9 ± 0.17 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No