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Information card for entry 7009325
Preview
| Coordinates | 7009325.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C54 H39 O3 Y |
|---|---|
| Calculated formula | C54 H39 O3 Y |
| SMILES | [Y](Oc1c(cccc1c1ccccc1)c1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1 |
| Title of publication | A simple synthesis and a structural survey of homoleptic rare earth(III) 2,6-diphenylphenolates |
| Authors of publication | Deacon, Glen B.; Feng, Tiecheng; Forsyth, Craig M.; Gitlits, Alex; Hockless, David C. R.; Shen, Qi; Skelton, Brian W.; White, Allan H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 6 |
| Pages of publication | 961 |
| a | 15.907 ± 0.003 Å |
| b | 13.541 ± 0.003 Å |
| c | 10.966 ± 0.002 Å |
| α | 116.504 ± 0.004° |
| β | 92.816 ± 0.005° |
| γ | 103.092 ± 0.004° |
| Cell volume | 2028.1 ± 0.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections | 2.995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.937 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7009325.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7009325.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009325.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009325.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009325.cif |
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Users of the data should acknowledge the original authors of the
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