Information card for entry 7245481

Structure parameters

• Formula: C60 H66 Br6 Er N3
• Calculated formula: C60 H66 Br6 Er N3
• 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: 16.6814 ± 0.0008 Å
• b: 18.4271 ± 0.0009 Å
• c: 20.884 ± 0.001 Å
• α: 106.146 ± 0.002°
• β: 102.283 ± 0.002°
• γ: 101.556 ± 0.002°
• Cell volume: 5790.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1039
• 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