Information card for entry 7122841

Structure parameters

• Formula: C9 H12 Li N O3
• Calculated formula: C9 H12 Li N O3
• 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: 5.4312 ± 0.001 Å
• b: 7.6252 ± 0.0016 Å
• c: 12.092 ± 0.002 Å
• α: 84.577 ± 0.015°
• β: 87.445 ± 0.014°
• γ: 76.369 ± 0.017°
• Cell volume: 484.37 ± 0.16 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No