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Information card for entry 7218552
Preview
| Coordinates | 7218552.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H86 Cl Lu N26 O39 |
|---|---|
| Calculated formula | C40 H44 Cl Lu N26 O25 |
| SMILES | C12N3C4(C5(N1CN1C(=O)N6C7C1N1CN5C(=O)N4CN4C5(C8(N(C(N5C3)=[O][Lu]([O]=2)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2])CN2C(=O)N3C5C2N(CN8C4=O)C(=O)N5CN2C4N(C3)C(=O)N3CN5C(=O)N(C8C5N(C(=O)N8CN7C1=O)CN(C43)C2=O)C6)C)C)C)C.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 | 35.247 ± 0.013 Å |
| b | 14.129 ± 0.005 Å |
| c | 13.384 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6665 ± 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 | 0.0805 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180516 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/85. |
7218552.cif |
| 126340 | 2014-11-06 | cif/ Updating files of 7218542, 7218543, 7218544, 7218545, 7218546, 7218547, 7218548, 7218549, 7218550, 7218551, 7218552 Original log message: Adding full bibliography for 7218542--7218552.cif. |
7218552.cif |
| 125573 | 2014-10-21 | cif/ Adding structures of 7218542, 7218543, 7218544, 7218545, 7218546, 7218547, 7218548, 7218549, 7218550, 7218551, 7218552 via cif-deposit CGI script. |
7218552.cif |
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