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Information card for entry 1515290
Preview
| Coordinates | 1515290.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 Cl N3 O P Pd S |
|---|---|
| Calculated formula | C27 H23 Cl N3 O P Pd S |
| SMILES | [Pd]12(Oc3cc(c(Cl)cc3C=[N]2N=C(S1)N)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes. |
| Authors of publication | Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan |
| Journal of publication | Metallomics : integrated biometal science |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 218 - 227 |
| a | 7.7387 ± 0.0005 Å |
| b | 24.7405 ± 0.0018 Å |
| c | 27.364 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5239.1 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (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 1. |
1515290.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1515290.cif |
| 111097 | 2014-04-20 | cif/ Adding structures of 1515289, 1515290, 1515291 via cif-deposit CGI script. |
1515290.cif |
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Users of the data should acknowledge the original authors of the
structural data.