Information card for entry 1573553

Structure parameters

• Formula: C64 H92 N4 Tb2
• Calculated formula: C64 H92 N4 Tb2
• SMILES: [Tb]123456789%10%11(N(C(C(C)(C)C)=N[c]%121[c]4([cH]3[cH]5[cH]2[c]6%12C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)[cH]12[Tb]3456%12%13%14%15%16%17(N(c%18c(C(C)C)cccc%18C(C)C)C(=N[c]%183[c]5([cH]4[cH]%15[cH]6[c]%17%18C(C)C)C(C)C)C(C)(C)C)[cH]1%11[cH]%10%16[cH]9%14[cH]8%13[cH]72%12
• Title of publication: Rare earth benzene tetraanion-bridged amidinate complexes.
• Authors of publication: Jin, Peng-Bo; Luo, Qian-Cheng; Gransbury, Gemma K.; Winpenny, Richard E. P.; Mills, David P.; Zheng, Yan-Zhen
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1907 - 1924
• a: 30.8903 ± 0.00015 Å
• b: 10.27991 ± 0.00006 Å
• c: 18.11204 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5751.47 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No