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Information card for entry 4304865
Preview
| Coordinates | 4304865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C100 H136 N12 O4 Si8 Y4 |
|---|---|
| Calculated formula | C100 H136 N12 O4 Si8 Y4 |
| SMILES | [Y]123([O]4[Y]5([N](c6c(c7c4cccc7C)c(ccc6)C)=Cc4n5ccc4)(N([Si](C)(C)C)[Si](C)(C)C)[O]3c3c(c(ccc3)C)c3c([N]1=Cc1n2ccc1)cccc3C)N([Si](C)(C)C)[Si](C)(C)C.[Y]12345[O](c6c(c(ccc6)C)c6c([N]3=Cc3n4ccc3)cccc6C)[Y](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]5c3c(c(ccc3)C)c3c([N]1=Cc1n2ccc1)cccc3C |
| 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 | 12.5736 ± 0.0007 Å |
| b | 19.1832 ± 0.001 Å |
| c | 45.84 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11056.7 ± 1.1 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0809 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1151 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
4304865.cif |
| 179086 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/48. |
4304865.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304865.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304865.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304865.cif |
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Users of the data should acknowledge the original authors of the
structural data.