Information card for entry 1550548

Structure parameters

• Formula: C59 H76 Mg2 N4
• Calculated formula: C59 H76 Mg2 N4
• SMILES: [Mg]1(N(c2c(cccc2CC)CC)C(=CC(=[N]1c1c(cccc1CC)CC)C)C)[CH2]1C([Mg]12[N](c3c(cccc3CC)CC)=C(C)C=C(N2c1c(cccc1CC)CC)C)(C)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: 19.9645 ± 0.0007 Å
• b: 11.2773 ± 0.0004 Å
• c: 22.9784 ± 0.0008 Å
• α: 90°
• β: 93.089 ± 0.003°
• γ: 90°
• Cell volume: 5166 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.2705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No