Information card for entry 7712372

Structure parameters

• Formula: C29 H30 B Cl Co N6 O9 S2
• Calculated formula: C29 H30 B Cl Co N6 O9 S2
• SMILES: [Co]12345[N](O[B](O[N]2=C(c2[n]3cccc2)C)(O[N]4=C(c2[n]5cccc2)C)c2ccc(cc2)CSS(=O)(=O)C)=C(c2[n]1cccc2)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis, X-ray structure and magnetic properties of the apically functionalized monocapped cobalt(II) tris-pyridineoximates possessing SMM behaviour.
• Authors of publication: Belov, Alexander S.; Belova, Svetlana A.; Efimov, Nikolay N.; Zlobina, Veronika V.; Novikov, Valentin V.; Nelyubina, Yulya V.; Zubavichus, Yan V.; Voloshin, Yan Z.; Pavlov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 10.939 ± 0.002 Å
• b: 13.525 ± 0.003 Å
• c: 14.224 ± 0.003 Å
• α: 104.71 ± 0.03°
• β: 112.39 ± 0.03°
• γ: 95.43 ± 0.03°
• Cell volume: 1838.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No