Information card for entry 4083108

Structure parameters

• Formula: C86 H114 Cl N13 Si6 Yb2
• Calculated formula: C86 H114 Cl N13 Si6 Yb2
• SMILES: c1ccccc1CN1C=CN2C1=[Yb]134(=C5N(c6c(ccc(c6)C)N3c3c2cc(cc3)C)C=CN5Cc2ccccc2)=C2N(Cc3ccccc3)C=CN2c2cc(ccc2N4c2ccc(cc2N2C=CN(C=12)Cc1ccccc1)C)C.C[Si](C)(C)N([Si](C)(C)C)[Yb](Cl)(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: 19.992 ± 0.002 Å
• b: 20.881 ± 0.002 Å
• c: 26.908 ± 0.003 Å
• α: 90°
• β: 107.657 ± 0.001°
• γ: 90°
• Cell volume: 10703.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.142
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No