Information card for entry 1514734

Structure parameters

• Formula: C44 H68 Mg N2 O3.5 Si
• Calculated formula: C42.05 H64 Mg N2 O3 Si
• SMILES: [SiH]1(N(c2c(C(C)C)cccc2C(C)C)[Mg]([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)(N1c1c(C(C)C)cccc1C(C)C))c1ccccc1
• Title of publication: Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis
• Authors of publication: Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 4212
• a: 10.031 ± 0.0001 Å
• b: 30.017 ± 0.0005 Å
• c: 16.556 ± 0.0003 Å
• α: 90°
• β: 104.903 ± 0.001°
• γ: 90°
• Cell volume: 4817.34 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1607
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No