Information card for entry 7054798

Structure parameters

• Formula: C56 H82 Er Li N6 O2 Si4
• Calculated formula: C56 H82 Er Li N6 O2 Si4
• SMILES: c1(ccc2cccc3c2[n]1[Li]124[n]5c(ccc6cccc(c56)[O]4[Er](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]32)C=[N]1c1c(cccc1C(C)C)C(C)C)/C=N/c1c(cccc1C(C)C)C(C)C
• Title of publication: Heterometallic rare-earth metal complexes with imino-functionalized 8-hydroxyquinolyl ligands: synthesis, characterization and catalytic activity towards hydrophosphinylation of trans-β-nitroalkene
• Authors of publication: Yuan, Qingbing; Zhou, Shuangliu; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Mu, Xiaolong; Yao, Fangshi; Zhang, Guangchao; Chen, Zheng
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7626
• a: 16.4571 ± 0.0015 Å
• b: 17.6102 ± 0.0016 Å
• c: 22.308 ± 0.002 Å
• α: 90°
• β: 104.279 ± 0.001°
• γ: 90°
• Cell volume: 6265.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No