Information card for entry 1550551

Structure parameters

• Formula: C76 H80 Mg2 N2 Si2
• Calculated formula: C76 H80 Mg2 N2 Si2
• SMILES: [Mg](N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1)[Mg]N([Si](C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1
• Title of publication: Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis
• Authors of publication: Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.1004 ± 0.0001 Å
• b: 16.2687 ± 0.0003 Å
• c: 18.3324 ± 0.0002 Å
• α: 90°
• β: 103.171 ± 0.001°
• γ: 90°
• Cell volume: 3223.54 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No