Information card for entry 7052658

Structure parameters

• Formula: C60 H78.2 Cl6 Cu8 N12 O29.1 Y2
• Calculated formula: C60 H52 Cl6 Cu8 N12 O16 Y2
• Title of publication: Synthesis, structure, magnetism and theoretical study of a series of complexes with a decanuclear core [Ln(iii)2Cu(ii)8] (Ln = Y, Gd, Tb, Dy)
• Authors of publication: Borta, Ana; Jeanneau, Erwann; Chumakov, Yuri; Luneau, Dominique; Ungur, Liviu; Chibotaru, Liviu F.; Wernsdorfer, Wolfgang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 1270
• a: 16.5041 ± 0.0016 Å
• b: 19.2258 ± 0.0018 Å
• c: 45.343 ± 0.004 Å
• α: 90°
• β: 96.87 ± 0.002°
• γ: 90°
• Cell volume: 14284 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections: 0.2221
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0438
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No