Information card for entry 1515041

Structure parameters

• Formula: C69 H93 Cu2 Gd6 N11 O54
• Calculated formula: C69 H93 Cu2 Gd6 N11 O54
• Title of publication: Heterometallic CuII/DyIII 1D chiral polymers: chirogenesis and exchange coupling of toroidal moments in trinuclear Dy3 single molecule magnets
• Authors of publication: Novitchi, Ghenadie; Pilet, Guillaume; Ungur, Liviu; Moshchalkov, Victor V.; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Luneau, Dominique; Powell, Annie K.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1169
• a: 11.3478 ± 0.0013 Å
• b: 24.0164 ± 0.0016 Å
• c: 20.6607 ± 0.0017 Å
• α: 90°
• β: 102.06 ± 0.009°
• γ: 90°
• Cell volume: 5506.5 ± 0.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No