Information card for entry 7711544

Structure parameters

• Formula: C21 H26 Cl Cu N2 Na O9
• Calculated formula: C21 H26 Cl Cu N2 Na O9
• SMILES: [Cu]123[O]4[Na]56([O](CC)c7c4c(C=[N]3CC[N]1=Cc1cccc(c1[O]26)[O]5CC)ccc7)(OCl(=O)(=O)=O)[OH]C
• Title of publication: Occurrence of slow relaxation of the magnetization in a family of copper(II)/manganese(II) quasi-isotropic complexes with different ground spin states.
• Authors of publication: Pilichos, Evangelos; Font-Bardia, Merce; Mayans, Julia; Escuer, Albert
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.0671 ± 0.0004 Å
• b: 21.2492 ± 0.0009 Å
• c: 14.0782 ± 0.0007 Å
• α: 90°
• β: 103.285 ± 0.002°
• γ: 90°
• Cell volume: 2348.7 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No