Information card for entry 7712373

Structure parameters

• Formula: C29 H29 B Br Cl3 Co N6 O7
• Calculated formula: C29 H29 B Br Cl3 Co N6 O7
• 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: 8.8994 ± 0.0018 Å
• b: 24.847 ± 0.005 Å
• c: 15.741 ± 0.003 Å
• α: 90°
• β: 98.36 ± 0.03°
• γ: 90°
• Cell volume: 3443.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1625
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No