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Information card for entry 7011342
Preview
| Coordinates | 7011342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H42 Cl N5 O7 S Zn |
|---|---|
| Calculated formula | C25 H36 Cl N5 O7 S Zn |
| Title of publication | Synthesis and characterization of the zinc(ii)-fluorophore, 5-dimethylaminonaphthalene-1-sulfonic acid [2-(1,5,9-triazacyclododec-1-yl)ethyl]amide and its zinc(ii) complex |
| Authors of publication | Koike, Tohru; Abe, Tomoko; Takahashi, Makoto; Ohtani, Kazuhiro; Kimura, Eiichi; Shiro, Motoo |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 8 |
| Pages of publication | 1764 |
| a | 9.1608 ± 0.0003 Å |
| b | 14.6563 ± 0.0003 Å |
| c | 21.6568 ± 0.0007 Å |
| α | 90° |
| β | 97.862 ± 0.001° |
| γ | 90° |
| Cell volume | 2880.38 ± 0.15 Å3 |
| Cell temperature | 113.2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for all reflections included in the refinement | 0.087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7011342.cif |
| 193020 | 2017-03-04 | cif/7/ (antanas@echidna.ibt.lt) Homogenising atom site labels in order to relate data from different loops in entries 7008743, 7011342. |
7011342.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7011342.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011342.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011342.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011342.cif |
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