Information card for entry 7122840

Structure parameters

• Formula: C28 H62 Li N4 Na O9 Si4
• Calculated formula: C28 H61.5 Li N4 Na O9 Si4
• Title of publication: Diverse outcomes of CO2 fixation using alkali metal amides including formation of a heterobimetallic lithium‒sodium carbamato-anhydride via lithium‒sodium bis-hexamethyldisilazide
• Authors of publication: Gauld, Richard M.; Kennedy, Alan R.; McLellan, Ross; Barker, Jim; Reid, Jacqueline; Mulvey, Robert E.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 22.2504 ± 0.0011 Å
• b: 13.1969 ± 0.0005 Å
• c: 17.7522 ± 0.0008 Å
• α: 90°
• β: 112.116 ± 0.005°
• γ: 90°
• Cell volume: 4829.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2416
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No