Information card for entry 4069521

Structure parameters

• Formula: C27 H29 Er N2 O
• Calculated formula: C27 H29 Er N2 O
• SMILES: [Er]123456789([N]=N1=C(c1ccccc1)c1ccccc1)([cH]1[cH]2[cH]3[cH]4[cH]19)([cH]1[cH]5[cH]6[cH]7[cH]81)[O]1CCCC1
• Title of publication: Investigations on Organolanthanide Derivatives with the Hydrazonido (−NHN═CPh2) Ligand: Synthesis, Crystal Structure, and Reactivity
• Authors of publication: Han, Yanan; Zhang, Jie; Han, Fuyan; Zhang, Zhengxing; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3916
• a: 8.024 ± 0.003 Å
• b: 24.945 ± 0.01 Å
• c: 12.108 ± 0.005 Å
• α: 90°
• β: 101.424 ± 0.005°
• γ: 90°
• Cell volume: 2375.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No