Information card for entry 7715903

Structure parameters

• Formula: C18 H20 Cu Gd N5 O13
• Calculated formula: C18 H20 Cu Gd N5 O13
• SMILES: [Gd]1234([O]5[Cu]67[O]1c1ccccc1C=[N]6CC[N]7=Cc1c5c([O]3C)ccc1)([OH]C)(ON(=O)=O)([O]=N(O4)=O)ON(=[O]2)=O
• Title of publication: Cu(II)-Ln(III) (Ln = Gd, Tb and Dy) complexes of an unsymmetrical N₂O₃ donor ligand: field induced SMM behaviour of Cu(II)-Tb(III) complexes.
• Authors of publication: Bhunia, Pradip; Maity, Souvik; Ghosh, Tanmoy Kumar; Mondal, Arpan; Mayans, Júlia; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 9171 - 9182
• a: 10.341 ± 0.002 Å
• b: 13.39 ± 0.003 Å
• c: 17.753 ± 0.003 Å
• α: 90°
• β: 93.587 ± 0.003°
• γ: 90°
• Cell volume: 2453.4 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No