Information card for entry 7130688

Structure parameters

• Formula: C63 H68 Mg N2 O2 Si
• Calculated formula: C63 H68 Mg N2 O2 Si
• SMILES: [Si](O[Mg]1([O]=C2c3ccccc3c3ccccc3C32c2ccccc2c2c3cccc2)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)c1ccccc1
• Title of publication: Diverse reactivity of a magnesium silanide toward ketones
• Authors of publication: Okokhere-Edeghoghon, Bibian; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.7538 ± 0.0002 Å
• b: 12.6949 ± 0.0003 Å
• c: 17.859 ± 0.0004 Å
• α: 90.407 ± 0.002°
• β: 96.484 ± 0.002°
• γ: 94.539 ± 0.002°
• Cell volume: 2639.1 ± 0.1 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No