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Information card for entry 8101818
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| Coordinates | 8101818.cif |
|---|
| Chemical name | bis[μ2-(3-benzimidazol-2-yl)-2-ethanethiolato-N,S,S)-chloro-palladium(II)] |
|---|---|
| Formula | C20 H24 Cl2 N4 O Pd2 S2 |
| Calculated formula | C20 H24 Cl2 N4 O Pd2 S2 |
| SMILES | [Pd]12([S](CCc3[n]4c5ccccc5[nH]3)[Pd]4(Cl)[S]1CCc1[n]2c3ccccc3[nH]1)Cl.OCC |
| Title of publication | Crystal structure of bis[μ~2~-(3-benzimidazol-2-yl)-2-ethanethiolato- N,S,S)-chloro-palladium(II)], [(C~6~H~4~N~2~HCCH~2~CH~2~S)PdCl]~2~ · C~2~H~5~OH |
| Authors of publication | M. Somer; D. Haciu; N. M. Agh-Atabay; H. Borrmann |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 441 - 442 |
| a | 8.7958 ± 0.0013 Å |
| b | 9.8436 ± 0.0013 Å |
| c | 14.718 ± 0.002 Å |
| α | 94.33 ± 0.006° |
| β | 98.546 ± 0.006° |
| γ | 99.258 ± 0.007° |
| Cell volume | 1237.3 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101818.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101818.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101818.cif |
| 12557 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101818 via cif-deposit CGI script. |
8101818.cif |
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