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Information card for entry 7218547
Preview
Coordinates | 7218547.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H88 Cl Dy N26 O40 |
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Calculated formula | C40 H44 Cl Dy N26 O25 |
SMILES | C1(=O)N2CN3C(=O)N4C5C3N3C(=O)N5CN5C6C7N(C(=O)N6C4)CN4C6=[O][Dy]([O]=C8N9C%10(C%11(N8CN6C6(C4(C)N(CN7C5=O)C(=O)N6CN%11C(=O)N%10CN4C5C6N(CN1C1C2N(C(=O)N1CN6C4=O)C3)C(=O)N5C9)C)C)C)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].[Cl-].N(=O)(=O)[O-].O |
Title of publication | Coordination of Ln3+in ortho-tetramethyl-substituted cucurbituril supramolecular assemblies formed in the presence of cadmium nitrate: potential applications for isolation of heavier lanthanides |
Authors of publication | Zhou, Jia-Jia; Yu, Xin; Zhao, Ying-Chun; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Liu, Jing-Xin; Zhu, Qian-Jiang |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 46 |
Pages of publication | 10674 |
a | 35.375 ± 0.004 Å |
b | 14.1652 ± 0.0017 Å |
c | 13.4397 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6734.6 ± 1.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0729 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1349 |
Weighted residual factors for all reflections included in the refinement | 0.1441 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7218547.html
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Users of the data should acknowledge the original authors of the
structural data.