Information card for entry 7713989

Structure parameters

• Formula: C36 H30 Co0.51 N4 O12 S3 Zn1.49
• Calculated formula: C36 H30 Co0.506 N4 O12 S3 Zn1.494
• Title of publication: Synthesis, structure, and characterisation of a ferromagnetically coupled dinuclear complex containing Co(II) ions in high spin configuration and thiodiacetate and phenanthroline as ligands and of a series of isomorphous heterodinuclear complexes containing different Co:Zn ratios
• Authors of publication: Pérez, Ana Laura; Kemmerer, Axel; Zapata, Alejandro J.; Sartoris, Rosana; Gonzalez, Pablo; Urteaga, Raul; Baggio, Ricardo; Suarez, Sebastian; Ramos, Carlos; Dalosto, Sergio; Rizzi, Alberto C.; Brondino, Carlos D.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.4449 ± 0.0004 Å
• b: 14.387 ± 0.0003 Å
• c: 13.5165 ± 0.0003 Å
• α: 90°
• β: 106.473 ± 0.002°
• γ: 90°
• Cell volume: 3626.08 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No