Information card for entry 4074254

Structure parameters

• Formula: C44 H56 Dy2 N2 O3 S2
• Calculated formula: C44 H56 Dy2 N2 O3 S2
• SMILES: [Dy]123456789([NH2]c%10ccccc%10S1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.O1CCCC1.O1CCCC1
• 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: 10.605 ± 0.005 Å
• b: 16.487 ± 0.007 Å
• c: 12.692 ± 0.006 Å
• α: 90°
• β: 92.591 ± 0.006°
• γ: 90°
• Cell volume: 2216.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No