Information card for entry 7031123

Structure parameters

• Formula: C30 H40 Cu2 N9 O14 Tb
• Calculated formula: C30 H40 Cu2 N9 O14 Tb
• SMILES: c12ccccc1C=[N]1C(C)(C)C[N]3=C(C)C(C)=[N](O[Tb]456(ON(=[O]4)=O)(ON(=[O]5)=O)(ON(=[O]6)=O)(O[N]4=C(C(=[N]5CC(C)(C)[N]6[Cu]45[O]c4ccccc4C=6)C)C)[OH2])[Cu]13O2
• Title of publication: Antiferromagnetic Cu-Gd interactions through an oxime bridge.
• Authors of publication: Costes, Jean-Pierre; Duhayon, Carine; Mallet-Ladeira, Sonia; Vendier, Laure; Garcia-Tojal, Javier; Banet, Luisa Lopez
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 29
• Pages of publication: 11388 - 11396
• a: 11.9478 ± 0.0005 Å
• b: 18.4048 ± 0.0007 Å
• c: 17.5548 ± 0.0007 Å
• α: 90°
• β: 96.735 ± 0.002°
• γ: 90°
• Cell volume: 3833.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0205
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0392
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No