Information card for entry 7712481

Structure parameters

• Formula: C33 H54 Dy N5 O Si3
• Calculated formula: C33 H54 Dy N5 O Si3
• SMILES: [Dy]123([O]=N(C)(C)C)[N](Cc4c(N2[Si](C)(C)C)cccc4)(Cc2c(N3[Si](C)(C)C)cccc2)Cc2c(N1[Si](C)(C)C)cccc2
• Title of publication: Role of molecular symmetry in the magnetic relaxation dynamics of five-coordinate Dy(III) complexes.
• Authors of publication: Guo, Yan; Liu, Kang; Qin, Yuanyuan; Wu, Qunyan; Hu, Kongqiu; Mei, Lei; Chai, Zhifang; Liu, Xiangyu; Yu, Jipan; Shi, Weiqun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2703 - 2711
• a: 10.176 ± 0.002 Å
• b: 19.387 ± 0.006 Å
• c: 20.093 ± 0.005 Å
• α: 90°
• β: 102.988 ± 0.009°
• γ: 90°
• Cell volume: 3862.6 ± 1.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0255
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No