Information card for entry 4083104

Structure parameters

• Formula: C34 H31 N5
• Calculated formula: C34 H31 N5
• SMILES: c1(ccccc1)CN1C=CN2c3c(ccc(c3)C)N3[C@]4([C@@H]12)N(Cc1ccccc1)C=CN4c1cc(ccc31)C.c1(ccccc1)CN1C=CN2c3c(ccc(c3)C)N3[C@@]4([C@H]12)N(Cc1ccccc1)C=CN4c1cc(ccc31)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: 11.2251 ± 0.0015 Å
• b: 11.6238 ± 0.0015 Å
• c: 12.226 ± 0.003 Å
• α: 101.367 ± 0.002°
• β: 98.26 ± 0.002°
• γ: 115.223 ± 0.002°
• Cell volume: 1367.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No