Information card for entry 4083109

Structure parameters

• Formula: C98 H150 Cl N15 Na5 Si10 Yb
• Calculated formula: C98 H150 Cl N15 Na5 Si10 Yb
• SMILES: c1(ccccc1)CN1C=CN2c3c(ccc(c3)C)N3c4c(cc(cc4)C)N4C=CN(Cc5ccccc5)C4=[Yb]453(=C3N(Cc6ccccc6)C=CN3c3cc(ccc3N5c3ccc(cc3N3C=CN(C=43)Cc3ccccc3)C)C)=C12.C[Si](C)(C)[N]1([Na]2[Cl]345[Na]1[N]([Na]3[N]([Na]4[N]([Na]5[N]2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[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: 14.7575 ± 0.0009 Å
• b: 20.7101 ± 0.0012 Å
• c: 21.9974 ± 0.0013 Å
• α: 106.543 ± 0.001°
• β: 91.909 ± 0.001°
• γ: 94.612 ± 0.001°
• Cell volume: 6412.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No