Information card for entry 4319227

Structure parameters

• Common name: Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II)(ethyleneglycol)
• Chemical name: Bis(2,2,6,6-tetramethyl-3,5-heptanedionate)magnesium(II)(1,2-ethanediol)
• Formula: C24 H44 Mg O6
• Calculated formula: C24 H44 Mg O6
• SMILES: [OH]1[Mg]23([OH]CC1)([O]=C(C(C)(C)C)C=C(O2)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O3)C(C)(C)C
• Title of publication: Ancillary Ligand Effect on the Properties of "Mg(thd)2" and Crystal Structures of [Mg(thd)2(ethylenediamine)]2, [Mg(thd)2(tmeda)], and [Mg(thd)2(trien)]1
• Authors of publication: Timo Hatanpää; Jarno Kansikas; Ilpo Mutikainen; Markku Leskelä
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 788 - 794
• a: 24.305 ± 0.005 Å
• b: 11.247 ± 0.005 Å
• c: 9.57 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2576.3 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2005
• Residual factor for significantly intense reflections: 0.1439
• Weighted residual factors for significantly intense reflections: 0.3526
• Weighted residual factors for all reflections included in the refinement: 0.4048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No