Information card for entry 4345888

Structure parameters

• Formula: C34 H38 Br3 N5 O12.5 Zn2
• Calculated formula: C34 H38 Br3 N5 O12.5 Zn2
• Title of publication: Designing Ligands to Isolate ZnLn and Zn2Ln Complexes: Field-Induced Single-Ion Magnet Behavior of the ZnDy, Zn2Dy, and Zn2Er Analogues.
• Authors of publication: Fondo, Matilde; Corredoira-Vázquez, Julio; García-Deibe, Ana M; Sanmartín-Matalobos, Jesús; Herrera, Juan Manuel; Colacio, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5646 - 5656
• a: 12.242 ± 0.005 Å
• b: 12.857 ± 0.005 Å
• c: 14.847 ± 0.005 Å
• α: 90.629 ± 0.005°
• β: 103.203 ± 0.005°
• γ: 107.143 ± 0.005°
• Cell volume: 2166.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No