Information card for entry 4067696

Structure parameters

• Formula: C48 H78 Mg2 N6 Si6
• Calculated formula: C48 H78 Mg2 N6 Si6
• SMILES: [Mg]12([N](=C(c3ccccc3)C[Si](C)(C)C)[Mg]3([N]2=C(c2ccccc2)C[Si](C)(C)C)[N]([Si](C)(C)C)=C(N3[Si](C)(C)C)c2ccccc2)[N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1
• 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: 12.0416 ± 0.0002 Å
• b: 17.7556 ± 0.0003 Å
• c: 13.8627 ± 0.0002 Å
• α: 90°
• β: 97.955 ± 0.001°
• γ: 90°
• Cell volume: 2935.4 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No