Information card for entry 7701461

Structure parameters

• Formula: C69 H81 Gd3 N24 O33
• Calculated formula: C69 H81 Gd3 N24 O33
• Title of publication: Mononuclear and Trinuclear DyIII SMMs with Schiff-base Ligands Modified by Nitro- Group: First Triangular Complex with N-N Pathway
• Authors of publication: Cheng, Li-Wei; Zhang, Chi-Lung; Wei, Jun-Yu; Lin, Po-Heng
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 28.897 ± 0.004 Å
• b: 28.897 ± 0.004 Å
• c: 28.897 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24130 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No