Information card for entry 4074256

Structure parameters

• Formula: C40 H48 Dy2 N2 O2 S2
• Calculated formula: C40 H48 Dy2 N2 O2 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Dy]16789%102345([cH]2[cH]1[cH]6[cH]%10[cH]82)[NH2]c1ccccc1[S]7[Dy]12345678%10([cH]%11[cH]1[cH]2[cH]3[cH]4%11)([cH]1[cH]5[cH]6[cH]7[cH]%101)[NH2]c1ccccc1[S]98.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: 10.986 ± 0.003 Å
• b: 10.686 ± 0.003 Å
• c: 17.002 ± 0.005 Å
• α: 90°
• β: 103.967 ± 0.004°
• γ: 90°
• Cell volume: 1937 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No