Information card for entry 7718815

Structure parameters

• Formula: C37 H31 Cl Co N4 O6
• Calculated formula: C37 H31 Cl Co N4 O6
• Title of publication: Elucidation of the effects of <i>trans</i>/<i>cis</i>-isomerization of the cinnamate ligand on the structural, spectroscopic and magnetic properties of cobalt(II) single-molecule magnets.
• Authors of publication: Halaš, Petr; Nemec, Ivan; Čižmár, Erik; Herchel, Radovan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 25
• Pages of publication: 10140 - 10149
• a: 12.9403 ± 0.0002 Å
• b: 15.244 ± 0.0002 Å
• c: 17.2158 ± 0.0003 Å
• α: 90°
• β: 109.783 ± 0.0019°
• γ: 90°
• Cell volume: 3195.59 ± 0.09 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No