Information card for entry 1550544

Structure parameters

• Formula: C64 H78 Mg2 N4
• Calculated formula: C64 H78 Mg2 N4
• SMILES: [Mg]1([N](c2c(CC)cccc2CC)=C(C)C=C(N1c1c(CC)cccc1CC)C)C(c1ccccc1)C(c1ccccc1)[Mg]1[N](c2c(CC)cccc2CC)=C(C)C=C(N1c1c(CC)cccc1CC)C
• 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: 8.65 ± 0.0003 Å
• b: 12.2882 ± 0.0005 Å
• c: 13.5191 ± 0.0005 Å
• α: 108.311 ± 0.004°
• β: 90.582 ± 0.003°
• γ: 100.254 ± 0.003°
• Cell volume: 1339.07 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No