Information card for entry 4083404

Structure parameters

• Formula: C50 H51 Er N4 Si
• Calculated formula: C50 H51 Er N4 Si
• SMILES: [Er]123456([N](=C(N1c1ccccc1)c1ccccc1)c1ccccc1)([N](=C(N2c1ccccc1)c1ccccc1)c1ccccc1)[c]1([Si](C)(C)C)[c]3([c]4([c]5([c]61C)C)C)C
• Title of publication: Cyclopentadienyl-Like Ligand as a Reactive Site in Half-Sandwich Bis(amidinato) Rare-Earth-Metal Complexes: An Efficient Application in Catalytic Addition of Amines to Carbodiimides
• Authors of publication: Wei, Peng-Hui; Xu, Ling; Song, Li-Cheng; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2784
• a: 10.9219 ± 0.0003 Å
• b: 17.7418 ± 0.0006 Å
• c: 22.7547 ± 0.0006 Å
• α: 90°
• β: 97.969 ± 0.002°
• γ: 90°
• Cell volume: 4366.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No