Information card for entry 7101913

Structure parameters

• Formula: C68 H94 N14 Yb4
• Calculated formula: C68 H94 N14 Yb4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Yb]1672345N(C2=[N](C(C)C)[Yb]34589%10%11%12(N2C(C)C)([cH]2[cH]4[cH]5[cH]8[cH]32)[cH]2[cH]9[cH]%12[cH]%11[cH]%102)c2cccc([n]12)N1C(NC(C)C)=[N](C(C)C)[Yb]234581([cH]1[cH]8[cH]5[cH]4[cH]31)[n]1c(cccc1N6C(=[N]7C(C)C)NC(C)C)N2C1N(C(C)C)[Yb]23456789([N]=1C(C)C)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]7[cH]8[cH]9[cH]21
• Title of publication: Synthesis and structural characterization of lanthanide complexes with the di- or tri-anionic diguanidinate ligand: new insight into the flexibility and distinct reactivity of the linked diguanidinate ligand.
• Authors of publication: Pi, Chengfu; Zhu, Zhenyu; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 21
• Pages of publication: 2190 - 2192
• a: 13.906 ± 0.005 Å
• b: 16.461 ± 0.005 Å
• c: 15.924 ± 0.005 Å
• α: 90°
• β: 98.049 ± 0.005°
• γ: 90°
• Cell volume: 3609 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No