Information card for entry 4069525

Structure parameters

• Formula: C36 H44 Er N6 O P S
• Calculated formula: C36 H44 Er N6 O P S
• SMILES: [Er]123456789([S]=C(NN=C(c%10ccccc%10)c%10ccccc%10)N1c1ccccc1)([O]=P(N(C)C)(N(C)C)N(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 11.075 ± 0.003 Å
• b: 13.34 ± 0.004 Å
• c: 14.742 ± 0.004 Å
• α: 102.472 ± 0.004°
• β: 107.949 ± 0.004°
• γ: 110.174 ± 0.004°
• Cell volume: 1813.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No