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Information card for entry 4307032
Preview
| Coordinates | 4307032.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H22 N4 O2 Pt S4 |
|---|---|
| Calculated formula | C16 H22 N4 O2 Pt S4 |
| SMILES | CN(C=O)C.[Pt]12([S]=c3c(ccc[nH]3)S1)Sc1c([nH]ccc1)=[S]2.CN(C=O)C |
| Title of publication | Syntheses and Unusual Segregated-Alternated Hybrid Stacking Structure of Hydrogen-Bonded Charge-Transfer Complexes Composed of Bis[2,3-pyridinedithiolate]metal Complexes |
| Authors of publication | Sota Shibahara; Hiroshi Kitagawa; Yoshiki Ozawa; Koshiro Toriumi; Takashi Kubo; Kazuhiro Nakasuji |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 1162 - 1170 |
| a | 7.636 ± 0.007 Å |
| b | 14.37 ± 0.02 Å |
| c | 9.695 ± 0.009 Å |
| α | 90° |
| β | 97.96 ± 0.09° |
| γ | 90° |
| Cell volume | 1054 ± 2 Å3 |
| Cell temperature | 200.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for all reflections included in the refinement | 0.0493 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4307032.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4307032.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307032.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307032.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307032.cif |
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Users of the data should acknowledge the original authors of the
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