Information card for entry 7022398

Structure parameters

• Formula: C32 H60 Er N5 Si2
• Calculated formula: C32 H60 Er N5 Si2
• SMILES: CC(C)(C)c1ccc2C=[N](C(C)(C)C)[Er]3(n12)(N([Si](C)(C)C)[Si](C)(C)C)n1c(C(C)(C)C)ccc1C=[N]3C(C)(C)C
• Title of publication: Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.
• Authors of publication: Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2861 - 2869
• a: 16.3623 ± 0.0012 Å
• b: 16.8981 ± 0.0013 Å
• c: 13.8066 ± 0.001 Å
• α: 90°
• β: 99.076 ± 0.001°
• γ: 90°
• Cell volume: 3769.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No