Information card for entry 4515169

Structure parameters

• Common name: Nickel(II) Magnesium(II) dimethoxysalen
• Chemical name: Nickel(II) Magnesium(II) dimethoxysalen
• Formula: C18 H20 Mg N4 Ni O11
• Calculated formula: C18 H20 Mg N4 Ni O11
• SMILES: [Ni]123[O]4[Mg]567([O](C)c8c([O]15)c(C=[N]3CC[N]2=Cc1cccc(c14)[O]7C)ccc8)([O]=N(=O)O6)[OH2].O=N(=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: 8.2292 ± 0.0008 Å
• b: 11.4209 ± 0.0011 Å
• c: 11.5013 ± 0.0011 Å
• α: 83.169 ± 0.008°
• β: 84.59 ± 0.008°
• γ: 85.07 ± 0.008°
• Cell volume: 1065.44 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0957
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No