Information card for entry 7704677

Structure parameters

• Formula: C44 H56 Co3 N4 O22
• Calculated formula: C44 H56 Co3 N4 O22
• SMILES: O1C(=[O][Co]([OH2])([OH2])(OC2=[O][Co]345(Oc6c(C=[N]3CC2)cccc6OC)OC(=O)CC[N]5=Cc2c(O4)c(OC)ccc2)([OH2])[OH2])CC[N]2=Cc3c(O[Co]4512OC(=O)CC[N]5=Cc1c(O4)c(OC)ccc1)c(OC)ccc3.O.O
• Title of publication: Field-induced slow magnetic relaxation in mixed valence di- and tri-nuclear Co^II-Co^III complexes.
• Authors of publication: Paul, Aparup; Viciano-Chumillas, Marta; Puschmann, Horst; Cano, Joan; Manna, Subal Chandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 27
• Pages of publication: 9516 - 9528
• a: 13.7106 ± 0.0005 Å
• b: 9.7609 ± 0.0006 Å
• c: 35.2338 ± 0.0014 Å
• α: 90°
• β: 96.509 ± 0.004°
• γ: 90°
• Cell volume: 4684.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No