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Information card for entry 7008350
Preview
| Coordinates | 7008350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H42 Cl3 In2 O3 P3 |
|---|---|
| Calculated formula | C54 H42 Cl3 In2 O3 P3 |
| SMILES | [In]1234([O]5[In](Cl)(Cl)([P](c6ccccc65)(c5ccccc5)c5ccccc5)([O]3c3c([P]1(c1ccccc1)c1ccccc1)cccc3)[O]4c1c([P]2(c2ccccc2)c2ccccc2)cccc1)Cl |
| Title of publication | Coordination chemistry of P, O-bidentate phosphinophenolates with Ga3+ and In3+. |
| Authors of publication | Saatchi, Katayoun; Patrick, Brian O.; Orvig, Chris |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 13 |
| Pages of publication | 2268 - 2274 |
| a | 11.0558 ± 0.0003 Å |
| b | 13.2211 ± 0.0007 Å |
| c | 18.694 ± 0.002 Å |
| α | 83.908 ± 0.002° |
| β | 85.429 ± 0.003° |
| γ | 64.939 ± 0.002° |
| Cell volume | 2459.4 ± 0.3 Å3 |
| Cell temperature | 173.2 K |
| Ambient diffraction temperature | 173.2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for all reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections | 1.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7008350.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" |
7008350.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008350.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008350.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008350.cif |
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Users of the data should acknowledge the original authors of the
structural data.