Information card for entry 4086300

Structure parameters

• Formula: C21 H12 F3 N3 O3
• Calculated formula: C21 H12 F3 N3 O3
• SMILES: c1(ccc(cc1)F)N1C(=O)N(c2ccc(cc2)F)C(=O)N(C1=O)c1ccc(F)cc1
• 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: 17.763 ± 0.002 Å
• b: 16.761 ± 0.002 Å
• c: 8.151 ± 0.001 Å
• α: 90°
• β: 93.21 ± 0.002°
• γ: 90°
• Cell volume: 2423 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0912
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No