Information card for entry 4083105

Structure parameters

• Formula: C46 H66 Er N7 Si4
• Calculated formula: C46 H66 Er N7 Si4
• SMILES: c1ccccc1CN1C=CN2C1=[Er]1(=C3N(c4c(ccc(c4)C)N1c1c2cc(cc1)C)C=CN3Cc1ccccc1)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: CNC-Pincer Rare-Earth Metal Amido Complexes with a Diarylamido Linked Biscarbene Ligand: Synthesis, Characterization, and Catalytic Activity
• Authors of publication: Gu, Xiaoxia; Zhu, Xiancui; Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Zhang, Guangchao; Mu, Xiaolong
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 9
• Pages of publication: 2372
• a: 20.8663 ± 0.0012 Å
• b: 12.526 ± 0.0007 Å
• c: 20.525 ± 0.0012 Å
• α: 90°
• β: 110.174 ± 0.001°
• γ: 90°
• Cell volume: 5035.5 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No