Information card for entry 7242497

Structure parameters

• Formula: C46 H44 Dy N4 Na O10
• Calculated formula: C46 H44 Dy N4 Na O10
• SMILES: c12c(cccc1C=[N]1c3ccccc3[N]3=Cc4c5c(ccc4)[O](C)[Na]4678([O]5[Dy]59%1013([N](=Cc1c(c(ccc1)[O]7C)[O]49)c1ccccc1[N]5=Cc1c(c(ccc1)[O]8C)[O]6%10)O2)[OH]C)OC.CO
• Title of publication: Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets
• Authors of publication: Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 17
• Pages of publication: 3175 - 3184
• a: 22.3221 ± 0.0006 Å
• b: 11.774 ± 0.0003 Å
• c: 16.2459 ± 0.0004 Å
• α: 90°
• β: 90.15 ± 0.001°
• γ: 90°
• Cell volume: 4269.74 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0964
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No