Information card for entry 7127816

Structure parameters

• Formula: C50 H66 Mg2 N4
• Calculated formula: C50 H66 Mg2 N4
• SMILES: [Mg]1([N]([C@@H](C)c2ccccc2)=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)[Mg]1N(C(=CC(=[N]1[C@@H](C)c1ccccc1)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.
• Authors of publication: de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 13
• Pages of publication: 1599 - 1602
• a: 9.3482 ± 0.0001 Å
• b: 11.4823 ± 0.0002 Å
• c: 12.0801 ± 0.0002 Å
• α: 109.948 ± 0.002°
• β: 97.683 ± 0.001°
• γ: 99.626 ± 0.001°
• Cell volume: 1175.98 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No