Information card for entry 7713990

Structure parameters

• Formula: C36 H30 Co1.11 N4 O12 S3 Zn0.89
• Calculated formula: C36 H30 Co1.11 N4 O12 S3 Zn0.89
• 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: 19.3669 ± 0.0008 Å
• b: 14.3494 ± 0.0005 Å
• c: 13.5022 ± 0.0005 Å
• α: 90°
• β: 106.231 ± 0.004°
• γ: 90°
• Cell volume: 3602.7 ± 0.2 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: 0.0286
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No