Information card for entry 4074253

Structure parameters

• Formula: C44 H64 N6 O2 S2 Yb2
• Calculated formula: C44 H64 N6 O2 S2 Yb2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Yb]1682345([N](c2c(cccc2)[S]6[Yb]234567([cH]9[cH]2[cH]3[cH]4[cH]59)([N](c2c(cccc2)[S]87)=C(NC(C)C)N6C(C)C)[O]2CCCC2)=C(NC(C)C)N1C(C)C)[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: 10.056 ± 0.003 Å
• b: 11.698 ± 0.004 Å
• c: 19.363 ± 0.006 Å
• α: 90°
• β: 93.428 ± 0.004°
• γ: 90°
• Cell volume: 2273.7 ± 1.2 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: 0.0378
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No