Information card for entry 7054795

Structure parameters

• Formula: C40 H77 Er Li N5 O Si6
• Calculated formula: C40 H77 Er Li N5 O Si6
• SMILES: c12[n]3[Li]4([O]([Er](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N]4([Si](C)(C)C)[Si](C)(C)C)c4cccc(cc1)c34)[N](=C2)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: 15.5306 ± 0.001 Å
• b: 23.5561 ± 0.0015 Å
• c: 32.975 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12063.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No