Information card for entry 4074255

Structure parameters

• Formula: C42 H56 Dy2 N4 O2 S2
• Calculated formula: C42 H56 Dy2 N4 O2 S2
• SMILES: [Dy]123456([S]7[Dy]89%10%11%12%13%14%15%16([NH2]c%17c7cccc%17)([cH]7[cH]%12[cH]%11[cH]%10[cH]97)[cH]7[cH]%16[cH]%15[cH]%14[cH]%137)([S]8c7ccccc7[N]1=C(NC(C)C)N2C(C)C)([O]1CCCC1)[cH]1[cH]6[cH]5[cH]4[cH]31.C1CCCO1
• 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: 14.524 ± 0.006 Å
• b: 19.149 ± 0.007 Å
• c: 30.795 ± 0.011 Å
• α: 90°
• β: 96.285 ± 0.005°
• γ: 90°
• Cell volume: 8513 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No