Information card for entry 4078869

Structure parameters

• Formula: C28 H76 Li2 Mg N4 Si4
• Calculated formula: C28 H76 Li2 Mg N4 Si4
• SMILES: [CH2]1([Si](C)(C)C)[Mg]2([CH2]([Si](C)(C)C)[Li]31[N](C)(CC[N]3(C)C)C)[CH2]([Si](C)(C)C)[Li]1([N](C)(C)CC[N]1(C)C)[CH2]2[Si](C)(C)C
• Title of publication: Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry
• Authors of publication: Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5131
• a: 11.1275 ± 0.0007 Å
• b: 11.1275 ± 0.0007 Å
• c: 36.035 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4461.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1544
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 0.695
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No