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Information card for entry 4304868
Preview
| Coordinates | 4304868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C116.5 H126 N9 O4 Si2 Yb3 |
|---|---|
| Calculated formula | C116.5 H126 N9 O4 Si2 Yb3 |
| SMILES | [Yb]12345[N](c6c(c7c8c(ccc7[O]4[Yb]4(N([Si](C)(C)C)[Si](C)(C)C)([O]5c5c(c7c(cc5)CCCC7)c5c([N]2=Cc2n3ccc2)ccc2c5CCCC2)[O]2[Yb]357([N](c9c(c%10c2ccc2c%10CCCC2)c2c(cc9)CCCC2)=Cc2n3ccc2)[N](c2c(c3c([O]47)ccc4c3CCCC4)c3c(cc2)CCCC3)=Cc2n5ccc2)CCCC8)c2c(cc6)CCCC2)=Cc2n1ccc2.Cc1ccccc1.Cc1ccccc1 |
| Title of publication | Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization |
| Authors of publication | Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 4319 - 4328 |
| a | 14.7699 ± 0.0008 Å |
| b | 22.0136 ± 0.001 Å |
| c | 31.2361 ± 0.0018 Å |
| α | 90° |
| β | 100.426 ± 0.003° |
| γ | 90° |
| Cell volume | 9988.4 ± 0.9 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0711 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304868.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4304868.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304868.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304868.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304868.cif |
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Users of the data should acknowledge the original authors of the
structural data.