Information card for entry 7061571

Structure parameters

• Formula: C44 H46 F12 Gd2 N4 O10
• Calculated formula: C44 H46 F12 Gd2 N4 O10
• 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: 12.3866 ± 0.0005 Å
• b: 15.8527 ± 0.0007 Å
• c: 12.3961 ± 0.0005 Å
• α: 90°
• β: 98.654 ± 0.002°
• γ: 90°
• Cell volume: 2406.4 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No