Information card for entry 7054794

Structure parameters

• Formula: C40 H77 Li N5 O Si6 Y
• Calculated formula: C40 H77 Li N5 O Si6 Y
• SMILES: c12[n]3[Li]4([O]([Y]([N]4([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([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: 15.5295 ± 0.0008 Å
• b: 23.5505 ± 0.0012 Å
• c: 33.0018 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12069.7 ± 1.1 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: 0.1428
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No