Information card for entry 7036996

Structure parameters

• Formula: C63 H69 N6 Y
• Calculated formula: C63 H69 N6 Y
• SMILES: c12cc3ccccc3n1[Y]13(n4c(cc5ccccc45)C=[N]1c1c(cccc1C(C)C)C(C)C)(n1c(cc4ccccc14)C=[N]3c1c(cccc1C(C)C)C(C)C)[N](=C2)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reactivity of functionalized indoles with rare-earth metal amides. Synthesis, characterization and catalytic activity of rare-earth metal complexes incorporating indolyl ligands.
• Authors of publication: Feng, Zhijun; Wei, Yun; Zhou, Shuangliu; Zhang, Guangchao; Zhu, Xiancui; Guo, Liping; Wang, Shaowu; Mu, Xiaolong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20502 - 20513
• a: 18.6067 ± 0.0012 Å
• b: 18.6067 ± 0.0012 Å
• c: 36.828 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11042 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No