Information card for entry 4106886

Structure parameters

• Formula: C107 H145 Cl2 Dy2 Fe2 N5 O24
• Calculated formula: C104 H140 Dy2 Fe2 N4 O24
• Title of publication: Effect of Ligand Substitution on the Interaction Between Anisotropic Dy(III) Ions and57Fe Nuclei in Fe2Dy2 Coordination Clusters
• Authors of publication: Valeriu Mereacre; Amer Baniodeh; Christopher E. Anson; Annie K. Powell
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15335 - 15337
• a: 18.1723 ± 0.0009 Å
• b: 11.6948 ± 0.0006 Å
• c: 26.4638 ± 0.0014 Å
• α: 90°
• β: 96.466 ± 0.001°
• γ: 90°
• Cell volume: 5588.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No