Information card for entry 4086299

Structure parameters

• Formula: C32 H48 I N6 Si2 Yb
• Calculated formula: C32 H48 I N6 Si2 Yb
• SMILES: CC(N1C2N(C=C1)c1c(ccc(c1)C)N1c3ccc(cc3N3C(N(C=C3)C(C)C)=[Yb]=21(I)N([Si](C)(C)C)[Si](C)(C)C)C)C
• Title of publication: Synthesis of Bis(NHC)-Based CNC-Pincer Rare-Earth-Metal Amido Complexes and Their Application for the Hydrophosphination of Heterocumulenes
• Authors of publication: Gu, Xiaoxia; Zhang, Lijun; Zhu, Xiancui; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Zhang, Guangchao; Mu, Xiaolong; Huang, Zeming; Hong, Dongjing; Zhang, Feng
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4553
• a: 28.4314 ± 0.0015 Å
• b: 11.3802 ± 0.0006 Å
• c: 22.8123 ± 0.0012 Å
• α: 90°
• β: 90.918 ± 0.001°
• γ: 90°
• Cell volume: 7380.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No