Information card for entry 7041653

Structure parameters

• Formula: C54 H52 Dy2 N6 O14
• Calculated formula: C54 H52 Dy2 N6 O14
• SMILES: C1(=O)O[Dy]2345([O]=C(c6ccccc6)C=C(O2)c2ccccc2)([N](=Cc2c6c(ccc2)[O](C)[Dy]278([N](=Cc9c(c(ccc9)[O]5C)[O]42)NC(=O)O8)([O]36)([O]=C(c2ccccc2)C=C(O7)c2ccccc2)[O]=CN(C)C)N1)[O]=CN(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: 12.2677 ± 0.0016 Å
• b: 12.8118 ± 0.0017 Å
• c: 17.181 ± 0.002 Å
• α: 90°
• β: 103.489 ± 0.002°
• γ: 90°
• Cell volume: 2625.9 ± 0.6 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: 0.0516
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No