Information card for entry 7021394

Structure parameters

• Formula: C120 H140 N12 S4 Y2
• Calculated formula: C120 H140 N12 S4 Y2
• SMILES: C1(c2ccc(C3=[N](c4c(cccc4C(C)C)C(C)C)[Y]45([N](=C(S4)Cc4ccccc4N(C)C)c4ccccc4)(N3c3c(cccc3C(C)C)C(C)C)[N](=C(S5)Cc3ccccc3N(C)C)c3ccccc3)cc2)=[N](c2c(cccc2C(C)C)C(C)C)[Y]23([N](=C(S2)Cc2c(N(C)C)cccc2)c2ccccc2)(N1c1c(cccc1C(C)C)C(C)C)[N](=C(S3)Cc1ccccc1N(C)C)c1ccccc1
• Title of publication: Synthesis, structure and reactivity of dinuclear rare earth metal bis(o-aminobenzyl) complexes bearing a 1,4-phenylenediamidinate co-ligand.
• Authors of publication: Li, Meng; Hong, Jianquan; Chen, Zhenxia; Zhou, Xigeng; Zhang, Lixin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8288 - 8297
• a: 11.625 ± 0.003 Å
• b: 36.414 ± 0.01 Å
• c: 63.656 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26946 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No