Information card for entry 7058338

Structure parameters

• Formula: C58 H83 Cl2 Cu3 Ho2 N17 O15
• Calculated formula: C58 H81 Cl2.002 Cu3 Ho2 N17 O14.268
• Title of publication: Synthesis, crystal structures and magnetic properties of a series of pentanuclear heterometallic [CuII3LnIII2] (Ln = Ho, Dy, and Gd) complexes containing mixed organic ligands
• Authors of publication: Chen, Yong; Long, Qiao-Qiao; Hu, Zhao-Bo; Wang, Hui-Sheng; Huang, Zhi-Yong; Chen, Wei; Song, You; Zhang, Zai-Chao; Yang, Feng-Jun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 8101
• a: 12.3525 ± 0.0004 Å
• b: 20.1759 ± 0.0008 Å
• c: 28.1711 ± 0.0011 Å
• α: 90°
• β: 91.018 ± 0.001°
• γ: 90°
• Cell volume: 7019.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No