Information card for entry 7042734

Structure parameters

• Formula: C128 H148 N6 O6 Yb3
• Calculated formula: C128 H148 N6 O6 Yb3
• SMILES: [N]1(=C([O]2[Yb]345([O]6C(=[N](c7c(cccc7C(C)C)C(C)C)[Yb]7126[N](=C(c1ccccc1)[O]57)c1c(cccc1C(C)C)C(C)C)c1ccccc1)[O]1C(=[N](c2c(cccc2C(C)C)C(C)C)[Yb]251([N](=C([O]42)c1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C([O]35)c1ccccc1)c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)C.c1ccccc1C.c1(ccccc1)C.c1ccccc1C
• Title of publication: An amidato divalent ytterbium cluster: synthesis and molecular structure, its reactivity to carbodiimides and application in the guanylation reaction
• Authors of publication: Gong, Chao; Ding, Hao; Lu, Chengrong; Zhao, Bei; Yao, Yingming
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.9951 ± 0.0004 Å
• b: 21.5347 ± 0.0007 Å
• c: 23.3361 ± 0.0008 Å
• α: 70.496 ± 0.003°
• β: 80.596 ± 0.003°
• γ: 79.095 ± 0.003°
• Cell volume: 6471.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No