Information card for entry 4074257

Structure parameters

• Formula: C44 H66 Dy2 N6 O2 S2
• Calculated formula: C44 H66 Dy2 N6 O2 S2
• SMILES: c12ccccc1N1C(=[N](C(C)C)[Dy]345671([O]1CCCC1)([S]2[Dy]1289%10%11([N](c%12c(cccc%12)[S]72)=C(N1C(C)C)[NH2+]C(C)C)([O]1CCCC1)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[cH]1[cH]3[cH]4[cH]5[cH]61)[NH2+]C(C)C
• 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: 10.086 ± 0.004 Å
• b: 11.719 ± 0.004 Å
• c: 19.487 ± 0.007 Å
• α: 90°
• β: 93.451 ± 0.004°
• γ: 90°
• Cell volume: 2299.1 ± 1.5 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: 0.0431
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No