Information card for entry 7061570

Structure parameters

• Formula: C48 H66 Gd2 N6 O11
• Calculated formula: C48 H66.2 Gd2 N6 O11.1
• Title of publication: Macrocycle supported dinuclear lanthanide complexes with different β-diketonate co-ligands displaying zero field single-molecule magnetic behaviour
• Authors of publication: Pramanik, Kuheli; Sun, Yu-Chen; Brandão, Paula; Jana, Narayan Ch.; Wang, Xin-Yi; Panja, Anangamohan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 11722 - 11733
• a: 10.9193 ± 0.0005 Å
• b: 10.7257 ± 0.0006 Å
• c: 22.1996 ± 0.0011 Å
• α: 90°
• β: 99.344 ± 0.004°
• γ: 90°
• Cell volume: 2565.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No