Information card for entry 7712480

Structure parameters

• Formula: C35 H50 Dy N5 Si3
• Calculated formula: C35 H50 Dy N5 Si3
• SMILES: [Dy]123(N([Si](C)(C)C)c4c(C[N]1(Cc1ccccc1N2[Si](C)(C)C)Cc1c(N3[Si](C)(C)C)cccc1)cccc4)[n]1ccccc1
• 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: 15.7628 ± 0.0005 Å
• b: 12.1123 ± 0.0004 Å
• c: 19.7909 ± 0.0007 Å
• α: 90°
• β: 91.746 ± 0.002°
• γ: 90°
• Cell volume: 3776.8 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• 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: 0.0394
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No