Information card for entry 7705105

Structure parameters

• Formula: C74 H116 Cl2 Dy2 N4 O4.5
• Calculated formula: C74 H116 Cl2 Dy2 N4 O4.5
• Title of publication: Single-molecule magnet behavior in heterolopetic Dy³⁺-chloro-diazabutadiene complexes: influence of the nuclearity and ligand redox state.
• Authors of publication: Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Lyssenko, Konstantin A.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 34
• Pages of publication: 11890 - 11901
• a: 15.3844 ± 0.0006 Å
• b: 16.0197 ± 0.0007 Å
• c: 15.8221 ± 0.0007 Å
• α: 90°
• β: 109.781 ± 0.001°
• γ: 90°
• Cell volume: 3669.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No