Information card for entry 4515165

Structure parameters

• Chemical name: Copper(II) Magnesium(II) dimethoxysalen
• Formula: C18 H18 Cu Mg N4 O10
• Calculated formula: C18 H18 Cu Mg N4 O10
• SMILES: [Cu]123[O]4[Mg]567([O](C)c8c4c(C=[N]3CC[N]1=Cc1cccc([O]7C)c1[O]26)ccc8)([O]=N(=O)O5)ON(=O)=O
• Title of publication: Compartmentalization of Alkaline-Earth Metals in Salen-Type Cu- and Ni-Complexes in Solution and in the Solid State.
• Authors of publication: Finelli, Alba; Hérault, Nelly; Crochet, Aurélien; Fromm, Katharina M.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 10231 - 10242
• a: 7.6984 ± 0.0009 Å
• b: 10.9592 ± 0.0011 Å
• c: 12.8941 ± 0.0014 Å
• α: 90.486 ± 0.009°
• β: 97.941 ± 0.009°
• γ: 111.744 ± 0.008°
• Cell volume: 998.7 ± 0.2 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.223
• Weighted residual factors for all reflections included in the refinement: 0.2488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No