Information card for entry 7001098

Structure parameters

• Formula: C35 H53 N6 O S2 Yb
• Calculated formula: C35 H53 N6 O S2 Yb
• SMILES: [Yb]123456(Sc7ccccc7[N]1=C(NC(C)C)NC(C)C)(Sc1ccccc1[N]2=C(NC(C)C)NC(C)C)([cH]1[cH]6[cH]5[cH]4[cH]31)[O]1CCCC1
• Title of publication: Facile construction of the guanidine substituent or guanidinate anionic ligand through addition of the adjacent amino group to carbodiimide
• Authors of publication: Zhang, Jie; Ma, Liping; Han, Yanan; Zhang, Fuyan Han Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3298 - 3305
• a: 16.186 ± 0.008 Å
• b: 14.485 ± 0.007 Å
• c: 16.207 ± 0.008 Å
• α: 90°
• β: 98.977 ± 0.008°
• γ: 90°
• Cell volume: 3753 ± 3 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: 0.098
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1581
• 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