Information card for entry 4067698

Structure parameters

• Formula: C33 H77 Mg N6 Na Si4
• Calculated formula: C33 H77 Mg N6 Na Si4
• SMILES: [Na]123([N](CC[N]1(C)C)(C)C)([N](CC[N]2(C)C)(C)C)[CH2]([Mg]1([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)[CH2]3[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Multistep Self-Assembly of Heteroleptic Magnesium and Sodium−Magnesium Benzamidinate Complexes
• Authors of publication: Forret, Robert; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 6
• Pages of publication: 1436
• a: 14.2642 ± 0.0007 Å
• b: 14.093 ± 0.0005 Å
• c: 23.4523 ± 0.0009 Å
• α: 90°
• β: 92.232 ± 0.004°
• γ: 90°
• Cell volume: 4710.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No