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Information card for entry 7002950
Preview
| Coordinates | 7002950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 Co N4 O6 S4 |
|---|---|
| Calculated formula | C31 H30 I N3 O2 S2 |
| Title of publication | A thiazoline-containing cobalt(II) complex based colorimetric fluorescent probe: “turn-on” detection of fluoride |
| Authors of publication | Wang, Jing; Liu, Hai-Bo; Wang, Wei; Kim, Il; Ha, Chang-Sik |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 47 |
| Pages of publication | 10422 - 10425 |
| a | 9.5132 ± 0.0017 Å |
| b | 17.434 ± 0.003 Å |
| c | 10.991 ± 0.002 Å |
| α | 90° |
| β | 91.767 ± 0.003° |
| γ | 90° |
| Cell volume | 1822 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0823 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249448 (current) | 2020-03-17 | cif/7/ Switching from COD_ERROR to COD_ENTRY_ISSUE CIF data items to describe the issues in a bunch of entries in range 7*. |
7002950.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7002950.cif |
| 175417 | 2016-02-02 | cif/7/00/29/ Marking structure 7002950 as containing errors, since it's 3D structure does not resemble the compound, described in the original publication: either cell constants or coordinates are incorrect. |
7002950.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" |
7002950.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002950.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002950.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
7002950.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002950.cif |
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Users of the data should acknowledge the original authors of the
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