Information card for entry 7039049

Structure parameters

• Formula: C100 H74 Cl6 Dy2 N4 O12
• Calculated formula: C100 H74 Cl6 Dy2 N4 O12
• SMILES: [Dy]1234(OC(=CC(=[O]2)c2ccccc2)c2ccccc2)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(c1ccccc1)=[O]4)c1ccccc1)[n]1c2[n]([Dy]456([O]=C(C=C(O5)c5ccccc5)c5ccccc5)(OC(=CC(=[O]6)c5ccccc5)c5ccccc5)([O]=C(c5ccccc5)C=C(O4)c4ccccc4)[n]4ccc[n]3c24)ccc1.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 20.8489 ± 0.0003 Å
• b: 19.5533 ± 0.0003 Å
• c: 22.3388 ± 0.0004 Å
• α: 90°
• β: 98.1311 ± 0.0016°
• γ: 90°
• Cell volume: 9015.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No