Information card for entry 7039050

Structure parameters

• Formula: C102 H75 Dy2 N6 O12
• Calculated formula: C102 H78 Dy2 N6 O12
• SMILES: c1c(cccc1)C1=[O][Dy]234([n]5ccc[n]6c5c5[n]3ccc[n]5[Dy]3576([O]=C(C=C(O5)c5ccccc5)c5ccccc5)([O]=C(c5ccccc5)C=C(O3)c3ccccc3)OC(=CC(=[O]7)c3ccccc3)c3ccccc3)([O]=C(C=C(O2)c2ccccc2)c2ccccc2)([O]=C(c2ccccc2)C=C(O4)c2ccccc2)OC(=C1)c1ccccc1.N#CC.N#CC
• Title of publication: Dinuclear dysprosium SMMs bridged by a neutral bipyrimidine ligand: two crystal systems that depend on different lattice solvents lead to a distinct slow relaxation behaviour.
• Authors of publication: Sun, Wen-Bin; Yan, Bing; Jia, Li-Hui; Wang, Bing-Wu; Yang, Qian; Cheng, Xin; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8790 - 8794
• a: 13.3403 ± 0.0005 Å
• b: 13.7896 ± 0.0005 Å
• c: 15.0024 ± 0.0006 Å
• α: 63.104 ± 0.004°
• β: 69.918 ± 0.004°
• γ: 64.26 ± 0.004°
• Cell volume: 2179.67 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No