Information card for entry 4106241

Structure parameters

• Formula: C40 H46 N8 O14 Y2
• Calculated formula: C40 H46 N8 O14 Y2
• SMILES: c12c(cccc1C=[N]1CC[NH]3[Y]4561([O]2[Y]12789([N](=Cc%10c(c(ccc%10)OC)[O]58)CC[NH]1CC[N]2=Cc1c(O9)c(OC)ccc1)ON(=[O]7)=O)(ON(=[O]4)=O)[N](CC3)=Cc1c(O6)c(OC)ccc1)OC
• Title of publication: The Use of Magnetic Dilution To Elucidate the Slow Magnetic Relaxation Effects of a Dy2 Single-Molecule Magnet
• Authors of publication: Fatemah Habib; Po-Heng Lin; Jérôme Long; Ilia Korobkov; Wolfgang Wernsdorfer; Muralee Murugesu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8830 - 8833
• a: 10.5625 ± 0.0003 Å
• b: 10.6015 ± 0.0003 Å
• c: 11.5129 ± 0.0004 Å
• α: 66.132 ± 0.001°
• β: 65.392 ± 0.001°
• γ: 80.115 ± 0.001°
• Cell volume: 1071.86 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No