Information card for entry 7710201

Structure parameters

• Formula: C56 H65 Cl2 Co N6 Ni3 O24
• Calculated formula: C56 H65 Cl2 Co N6 Ni3 O24
• SMILES: [Ni]123[O]4[Co]([O]1c1c(OC)cccc1C=[N]3CC[N]2=Cc1cccc(c41)OC)(OC)([OH2])[OH2].[Ni]123Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OC.[Ni]123Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(c2O1)OC.OC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[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: 15.383 ± 0.003 Å
• b: 22.053 ± 0.004 Å
• c: 18.065 ± 0.003 Å
• α: 90°
• β: 95.41 ± 0.007°
• γ: 90°
• Cell volume: 6101.1 ± 1.9 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: 0.0792
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No