Information card for entry 4081073

Structure parameters

• Formula: C37 H56 La N5 Si2
• Calculated formula: C37 H56 La N5 Si2
• SMILES: c1ccccc1N(CCn1c(C)ccc1C)[La]1(n2cccc2C=[N]1c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity
• Authors of publication: Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3920
• a: 8.949 ± 0.004 Å
• b: 14.039 ± 0.005 Å
• c: 17.128 ± 0.007 Å
• α: 90.736 ± 0.005°
• β: 95.994 ± 0.005°
• γ: 107.657 ± 0.005°
• Cell volume: 2037 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1406
• Residual factor for significantly intense reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.3641
• Weighted residual factors for all reflections included in the refinement: 0.3732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No