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Information card for entry 7009327
Preview
| Coordinates | 7009327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tris(2,6-diphenylphenolato)cerium(III) |
|---|---|
| Formula | C54 H39 Ce O3 |
| Calculated formula | C54 H39 Ce O3 |
| SMILES | [Ce]123456(Oc7c([c]81[cH]2[cH]3[cH]4[cH]5[cH]68)cccc7c1ccccc1)(Oc1c(c2ccccc2)cccc1c1ccccc1)Oc1c(c2ccccc2)cccc1c1ccccc1 |
| 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 | 15.5685 ± 0.0004 Å |
| b | 13.3666 ± 0.0003 Å |
| c | 10.9262 ± 0.0001 Å |
| α | 116.029 ± 0.001° |
| β | 92.403 ± 0.001° |
| γ | 100.75 ± 0.001° |
| Cell volume | 1987.42 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| 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 |
|---|---|---|---|
| 179797 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/93. |
7009327.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7009327.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009327.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009327.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009327.cif |
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