Information card for entry 7714962

Structure parameters

• Formula: C28 H21 Cl Co N6 O2 S
• Calculated formula: C28 H21 Cl Co N6 O2 S
• SMILES: [Co]12(Cl)([n]3c(N2S(=O)(=O)c2ccc(cc2)N)nccc3)[n]2c(c3[n]1c1ccccc1cc3)ccc1c2cccc1
• Title of publication: Spin canting and slow magnetic relaxation in mononuclear cobalt(II) sulfadiazine ternary complexes.
• Authors of publication: Villa-Pérez, Cristian; Zabala-Lekuona, Andoni; Vitorica-Yrezabal, Iñigo J; Seco, José Manuel; Cepeda, Javier; Echeverría, Gustavo Alberto; Soria, Delia Beatriz
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3254 - 3266
• a: 9.2829 ± 0.0006 Å
• b: 28.894 ± 0.002 Å
• c: 10.1698 ± 0.0009 Å
• α: 90°
• β: 99.487 ± 0.007°
• γ: 90°
• Cell volume: 2690.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No