Information card for entry 4347699

Structure parameters

• Formula: C88 H144.76 Br4.24 Cu9 Gd2 N8 O44.5
• Calculated formula: C88 H134.264 Br4.236 Cu9 Gd2 N8 O44.5
• Title of publication: An Undecanuclear Ferrimagnetic Cu9Dy2 Single Molecule Magnet Achieved through Ligand Fine-Tuning.
• Authors of publication: Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4072 - 4074
• a: 12.6232 ± 0.0003 Å
• b: 13.5258 ± 0.0003 Å
• c: 19.1849 ± 0.0004 Å
• α: 110.153 ± 0.002°
• β: 99.826 ± 0.002°
• γ: 98.254 ± 0.002°
• Cell volume: 2956.56 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No