Information card for entry 1552219

Structure parameters

• Chemical name: (tropolonato)-(tris(6-methyl-2-pyridylmethyl)amine)-cobalt(II) hexafluorophosphate
• Formula: C28 H29 Co F6 N4 O2 P
• Calculated formula: C28 H29 Co F5.997 N4 O2 P0.9995
• Title of publication: Single-ion anisotropy and exchange coupling in cobalt(ii)-radical complexes: insights from magnetic and ab initio studies
• Authors of publication: Gransbury, Gemma K.; Boulon, Marie-Emmanuelle; Mole, Richard A.; Gable, Robert W.; Moubaraki, Boujemaa; Murray, Keith S.; Sorace, Lorenzo; Soncini, Alessandro; Boskovic, Colette
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.275 ± 0.0004 Å
• b: 13.448 ± 0.0005 Å
• c: 16.9694 ± 0.0005 Å
• α: 86.195 ± 0.003°
• β: 72.635 ± 0.003°
• γ: 84.222 ± 0.003°
• Cell volume: 2874.55 ± 0.17 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No