Information card for entry 7031124

Structure parameters

• Formula: C18 H29 Cu Ho N6 O14
• Calculated formula: C18 H29 Cu Ho N6 O14
• SMILES: c12O[Cu]345[N](=Cc2cccc1)C(C[N]4=C(C(=[N]5O[Ho]124([O]3N(=[O]1)=O)([O]=N(=O)O2)(ON(=[O]4)=O)([OH2])[OH2])C)C)(C)C.C(=O)(C)C
• 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: 10.5144 ± 0.0004 Å
• b: 11.4478 ± 0.0004 Å
• c: 11.5167 ± 0.0004 Å
• α: 86.825 ± 0.002°
• β: 85.037 ± 0.002°
• γ: 89.709 ± 0.002°
• Cell volume: 1378.91 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0233
• Weighted residual factors for all reflections included in the refinement: 0.0225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No