Information card for entry 2311910

Structure parameters

• Chemical name: Bis(μ~3~-2-aminoethanolato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>,<i>N</i>)tetrakis(μ~2~-2-aminoethanolato-κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(2,6-di-<i>tert</i>-butyl-4-methylphenolatoκ<i>O</i>)tetramagnesium(II)
• Formula: C42 H82 Mg4 N6 O8
• Calculated formula: C42 H82 Mg4 N6 O8
• SMILES: c1(c(cc(cc1C(C)(C)C)C)C(C)(C)C)O[Mg]123[NH2]CC[O]1[Mg]1456[O]72[Mg]28([NH2]CC7)([NH2]CC[O]32)[O]4([Mg]2(Oc3c(C(C)(C)C)cc(C)cc3C(C)(C)C)([O]1CC[NH2]5)[O]8CC[NH2]2)CC[NH2]6
• Title of publication: Structural diversity of polynuclear Mg_xO_y cores in magnesium phenoxide complexes.
• Authors of publication: Minyaev, Mikhail E.; Churakov, Andrei V.; Nifant'ev, Ilya E.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 854 - 861
• a: 8.959 ± 0.0005 Å
• b: 20.4643 ± 0.0011 Å
• c: 13.5552 ± 0.0007 Å
• α: 90°
• β: 94.318 ± 0.0008°
• γ: 90°
• Cell volume: 2478.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No