Information card for entry 4086295

Structure parameters

• Formula: C38 H66 N7 Si4 Y
• Calculated formula: C38 H66 N7 Si4 Y
• SMILES: C12N(C=CN1c1c(ccc(c1)C)N1c3c(cc(cc3)C)N3C(N(C=C3)C(C)C)=[Y]=21(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(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: 10.9565 ± 0.0018 Å
• b: 12.319 ± 0.003 Å
• c: 17.945 ± 0.003 Å
• α: 77.695 ± 0.002°
• β: 74.583 ± 0.002°
• γ: 80.281 ± 0.002°
• Cell volume: 2265.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No