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Information card for entry 2020540
Preview
| Coordinates | 2020540.cif |
|---|---|
| Structure factors | 2020540.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | hexakis(diphenylacetato)-bis(1,2-dimethoxyethane)-di-yttrium |
|---|---|
| Chemical name | Tetrakis(μ-2,2-diphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')(2,2-diphenylacetato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)] |
| Formula | C92 H86 O16 Y2 |
| Calculated formula | C92 H86 O16 Y2 |
| SMILES | O1[Y]23456([O](CC[O]2C)C)(OC(C(c2ccccc2)c2ccccc2)=[O]3)[O]=C([O]5[Y]2357([O]=C1C(c1ccccc1)c1ccccc1)(OC(C(c1ccccc1)c1ccccc1)=[O]2)([O]=C([O]67)C(c1ccccc1)c1ccccc1)([O]=C([O]34)C(c1ccccc1)c1ccccc1)[O](C)CC[O]5C)C(c1ccccc1)c1ccccc1 |
| Title of publication | Di- and triphenylacetate complexes of yttrium and europium |
| Authors of publication | Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 7 |
| Pages of publication | 578 - 584 |
| a | 11.4292 ± 0.0017 Å |
| b | 21.371 ± 0.003 Å |
| c | 16.335 ± 0.003 Å |
| α | 90° |
| β | 102.37 ± 0.005° |
| γ | 90° |
| Cell volume | 3897.3 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020540.cif 2020540.hkl |
| 185023 | 2016-08-05 | cif/ Updating files of 2020539, 2020540, 2020541 Original log message: Adding full bibliography for 2020539--2020541.cif. |
2020540.cif 2020540.hkl |
| 183915 | 2016-06-25 | cif/ hkl/ Adding structures of 2020539, 2020540, 2020541 via cif-deposit CGI script. |
2020540.cif 2020540.hkl |
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Users of the data should acknowledge the original authors of the
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