Information card for entry 7112611

Structure parameters

• Formula: C36 H54 Co F6 N4 Sb
• Calculated formula: C36 H54 Co F6 N4 Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Co]123Nc4c(cc(cc4C=[N]1[C@@H]1CCCC[C@H]1[N]2=Cc1cc(cc(c1N3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: A singlet ground state for a cobalt(II)-anilinosalen radical complex
• Authors of publication: Amelie Kochem; Gisele Gellon; Olivier Jarjayes; Christian Philouze; Nicolas Leconte; Maurice van Gastel; Eckhard Bill; Fabrice Thomas
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4924
• a: 23.028 ± 0.003 Å
• b: 18.156 ± 0.003 Å
• c: 19.131 ± 0.005 Å
• α: 90°
• β: 100.136 ± 0.012°
• γ: 90°
• Cell volume: 7874 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No