Information card for entry 7111020

Structure parameters

• Formula: C30 H70 Li2 Mg2 N4 Si4
• Calculated formula: C30 H70 Li2 Mg2 N4 Si4
• SMILES: [Mg]123[CH2]([Si]([N]1([Si](C)(C)C)[Li][N]12C(CCCC1(C)C)(C)C)(C)C)[Mg]12[CH2]3[Si]([N]2([Si](C)(C)C)[Li][N]21C(CCCC2(C)C)(C)C)(C)C
• Title of publication: Synthesis of the mixed lithium‒magnesium, mixed amide (R,R/S,S)-[{LiMg(TMP)[CH2Si(Me)2N(SiMe3)]}2]: a conformationally-locked structure of five fused rings inducing two stereogenic nitrogen centres
• Authors of publication: Barr, Lorna; Kennedy, Alan R.; MacLellan, Jonathan G.; Moir, Jennifer H.; Mulvey, Robert E.; Rodger, Philip J. A.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1757
• a: 11.6682 ± 0.0002 Å
• b: 16.8825 ± 0.0004 Å
• c: 20.998 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4136.36 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No