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Information card for entry 4307034
Preview
| Coordinates | 4307034.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H12 N6 Pd S4 |
|---|---|
| Calculated formula | C44 H24 N12 Pd S8 |
| 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 | 7.5745 ± 0.0003 Å |
| b | 8.6899 ± 0.0007 Å |
| c | 9.9095 ± 0.0005 Å |
| α | 69.27 ± 0.04° |
| β | 80.71 ± 0.05° |
| γ | 68.98 ± 0.04° |
| Cell volume | 569 ± 0.2 Å3 |
| Cell temperature | 200.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| 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. |
4307034.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. |
4307034.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307034.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307034.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307034.cif |
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Users of the data should acknowledge the original authors of the
structural data.