Information card for entry 1573556

Structure parameters

• Formula: C58 H86 Cl N4 Tb
• Calculated formula: C58 H86 Cl N4 Tb
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C(C)(C)C)N(c2c(C(C)C)cccc2C(C)C)[Tb]21(Cl)N(c1c(cccc1C(C)C)C(C)C)C(C(C)(C)C)=[N]2c1c(C(C)C)cccc1C(C)C
• 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: 23.9599 ± 0.0008 Å
• b: 10.5837 ± 0.0002 Å
• c: 22.4979 ± 0.0008 Å
• α: 90°
• β: 112.183 ± 0.004°
• γ: 90°
• Cell volume: 5282.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No