Information card for entry 7045561

Structure parameters

• Formula: C83 H129 Er2 N9 S3 Si2
• Calculated formula: C83 H129 Er2 N9 S3 Si2
• SMILES: CC(C)c1cccc(c1[N]1=C(C)C=C(C)N(CCn2c(C)ccc2C)[Er]2341N(C(=C1C(C)=[N](c5c(C(C)C)cccc5C(C)C)[Er]5([N](CCn6c(C)ccc6C)=C(C)C=C(C)N5c5c(C(C)C)cccc5C(C)C)([S]2C[Si](C)(C)C)([S]3C[Si](C)(C)C)[S]41)C)CCn1c(C)ccc1C)C(C)C
• Title of publication: Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.
• Authors of publication: Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3947 - 3957
• a: 25.4738 ± 0.0017 Å
• b: 13.482 ± 0.0009 Å
• c: 27.6081 ± 0.0019 Å
• α: 90°
• β: 93.722 ± 0.001°
• γ: 90°
• Cell volume: 9461.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0587
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No