Information card for entry 7245482

Structure parameters

• Formula: C63 H45 Er F18 O5.02 P2
• Calculated formula: C63 H45 Er F18 O5.0233 P2
• Title of publication: Effect on the geometry over the slow relaxation of the magnetization in a series of Erbium(III) complexes based on halogenated ligands.
• Authors of publication: Long, Jérôme; Lyubov, Dmitry; Kissel, Alexander; Gogolev, Ilia A.; Tyutyunov, Andrey A.; Nelyubina, Yulia V.; Salles, Fabrice; Guari, Yannick; Cherkasov, Anton; Larionova, Joulia; Trifonov, Alexander
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 18.885 ± 0.012 Å
• b: 18.885 ± 0.012 Å
• c: 28.24 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8722 ± 10 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2037
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.3017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No