Information card for entry 4515168

Structure parameters

• Chemical name: Copper(II) Strontium(II) dimethoxysalen
• Formula: C18 H20 Cu N4 O11 Sr
• Calculated formula: C18 H20 Cu N4 O11 Sr
• SMILES: [Sr]12345([O]6[Cu]78[O]2c2c([O]1C)cccc2C=[N]7CC[N]8=Cc1c6c([O]4C)ccc1)(ON(=[O]5)=O)(ON(=O)=[O]3)[OH2]
• 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: 22.7055 ± 0.0005 Å
• b: 8.6682 ± 0.0005 Å
• c: 11.1732 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2199.1 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No