Information card for entry 7041654

Structure parameters

• Formula: C56 H56 Dy2 N6 O14
• Calculated formula: C56 H56 Dy2 N6 O14
• SMILES: C1(=O)O[Dy]2345([O]=C(c7ccccc7)C=C(O2)c2ccccc2)([N](=Cc2c7c(ccc2)[O](C)[Dy]289([N](=Cc6c(c(ccc6)[O]5C)[O]42)NC(=O)O8)([O]37)([O]=C(c2ccccc2)C=C(O9)c2ccccc2)[O]=C(N(C)C)C)N1)[O]=C(N(C)C)C
• Title of publication: Two {Dy2} single-molecule magnets formed via an in situ reaction by capturing CO2 from atmosphere under ambient conditions.
• Authors of publication: Zhang, Kun; Guo, Fu-Sheng; Wang, Yao-Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 1753 - 1756
• a: 12.6016 ± 0.0012 Å
• b: 12.8099 ± 0.0012 Å
• c: 17.3797 ± 0.0017 Å
• α: 90°
• β: 106.34 ± 0.001°
• γ: 90°
• Cell volume: 2692.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No