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Information card for entry 7054834
Preview
| Coordinates | 7054834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 N3 Pd S4 |
|---|---|
| Calculated formula | C29 H29 N3 Pd S4 |
| Title of publication | Rare intermolecular M⋯H‒C anagostic interactions in homoleptic Ni(ii)‒Pd(ii) dithiocarbamate complexes |
| Authors of publication | Yadav, Manoj Kumar; Rajput, Gunjan; Prasad, Lal Bahadur; Drew, Michael G. B.; Singh, Nanhai |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 7 |
| Pages of publication | 5493 |
| a | 6.7086 ± 0.001 Å |
| b | 10.3187 ± 0.0018 Å |
| c | 10.8136 ± 0.0012 Å |
| α | 74.967 ± 0.012° |
| β | 84.813 ± 0.01° |
| γ | 72.281 ± 0.014° |
| Cell volume | 688.59 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 all reflections | 0.1217 |
| Residual factor for significantly intense reflections | 0.0931 |
| Weighted residual factors for significantly intense reflections | 0.2176 |
| Weighted residual factors for all reflections included in the refinement | 0.2487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7054834.cif |
| 143734 | 2015-07-11 | cif/ Updating files of 7054833, 7054834, 7054835, 7054836 Original log message: Adding full bibliography for 7054833--7054836.cif. |
7054834.cif |
| 135969 | 2015-05-09 | cif/ Adding structures of 7054833, 7054834, 7054835, 7054836 via cif-deposit CGI script. |
7054834.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.