Information card for entry 7116098

Structure parameters

• Formula: C36 H60 Mg N2 O2
• Calculated formula: C36 H60 Mg N2 O2
• SMILES: [Mg]1([O](CC)CC)(N(c2c(cccc2C(C)C)C(C)C)C(=C(N1c1c(C(C)C)cccc1C(C)C)C)C)[O](CC)CC
• Title of publication: From MgBr via single-electron transfer (SET) to a paramagnetic Mg(II) compound and back to Mg(I): [MgBr(L^1^)^.^]2 and [K(thf)3]2[Mg2(L^1^)2], L^1^ == RN[double bond, length as m-dash]C(Me)C(Me)[double bond, length as m-dash]NR, R == 2,6-diisopropylphenyl
• Authors of publication: T. Kruczynski; P. Henke; T. Augenstein; N. Arleth; F. Breher; H. Schnockel
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15677
• a: 16.25 ± 0.003 Å
• b: 16.383 ± 0.003 Å
• c: 26.392 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7026 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No