Information card for entry 7710202

Structure parameters

• Formula: C49 H65 Cl2 Co Cu2 N4 O19.5
• Calculated formula: C49 H64.5 Cl2 Co Cu2 N4 O19.5
• SMILES: [Cu]123Oc4c(cccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2cccc3[O]([Co]4([O]1c23)([O](CC)c1cccc2C=[N]3[Cu]5([O]4c12)Oc1c(OCC)cccc1C=[N]5[C@@H]1[C@@H]3CCCC1)([OH2])[OH2])CC)OCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
• Title of publication: Slow magnetic relaxation for cobalt(II) complexes in axial bipyramidal environment: an S = ½ spin case
• Authors of publication: Pilichos, Evangelos; Font-Bardia, Merce; Cano, Joan; Escuer, Albert; Mayans, Julia
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.1923 ± 0.0009 Å
• b: 17.1783 ± 0.001 Å
• c: 20.162 ± 0.0009 Å
• α: 90.243 ± 0.002°
• β: 90.262 ± 0.002°
• γ: 109.057 ± 0.002°
• Cell volume: 5300.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No