Information card for entry 7119978

Structure parameters

• Formula: C59 H37 Cl F4 Ir N7
• Calculated formula: C59 H37 Cl F4 Ir N7
• Title of publication: Investigation of easy-plane magnetic anisotropy in P-ligand square-pyramidal CoII single ion magnets
• Authors of publication: Konar, Sanjit; Mondal, Amit Kumar; Jover, Jesús; Ruiz, Eliseo
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 20.8286 ± 0.0009 Å
• b: 18.639 ± 0.0006 Å
• c: 17.8263 ± 0.0006 Å
• α: 90°
• β: 91.188 ± 0.004°
• γ: 90°
• Cell volume: 6919.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No