Information card for entry 4074258

Structure parameters

• Formula: C35 H53 Er N6 O S2
• Calculated formula: C35 H53 Er N6 O S2
• SMILES: [Er]123456(Sc7ccccc7[N]1=C(NC(C)C)NC(C)C)(Sc1ccccc1[N]2=C(NC(C)C)NC(C)C)([cH]1[cH]3[cH]4[cH]5[cH]61)[O]1CCCC1
• Title of publication: Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide
• Authors of publication: Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4571
• a: 16.236 ± 0.008 Å
• b: 14.542 ± 0.007 Å
• c: 16.236 ± 0.008 Å
• α: 90°
• β: 98.828 ± 0.004°
• γ: 90°
• Cell volume: 3788 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No