Information card for entry 7119901

Structure parameters

• Formula: C67 H109 Er Li N4 O6
• Calculated formula: C67 H109 Er Li N4 O6
• Title of publication: An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.
• Authors of publication: Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 4706 - 4709
• a: 16.8819 ± 0.0019 Å
• b: 15.9384 ± 0.0013 Å
• c: 27.699 ± 0.002 Å
• α: 90°
• β: 103.719 ± 0.009°
• γ: 90°
• Cell volume: 7240.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No