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Information card for entry 7054229
Preview
| Coordinates | 7054229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H33 N3 Pd S4 |
|---|---|
| Calculated formula | C35 H33 N3 Pd S4 |
| SMILES | S1[Pd]2([S]=C1N(Cc1ccccc1)Cc1ccccc1)[S]=C(N(Cc1ccccc1)Cc1ccccc1)S2.c1ncccc1 |
| Title of publication | Vysotskite structured photoactive palladium sulphide thin films from dithiocarbamate derivatives |
| Authors of publication | Ehsan, Muhammad Ali; Ming, Huang Nay; McKee, Vickie; Peiris, Thalge Anton Nirmal; Wijayantha-Kahagala-Gamage, Upul; Arifin, Zainudin; Mazhar, Muhammad |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 9 |
| Pages of publication | 4083 |
| a | 20.803 ± 0.003 Å |
| b | 6.3637 ± 0.0008 Å |
| c | 25.24 ± 0.003 Å |
| α | 90° |
| β | 99.136 ± 0.002° |
| γ | 90° |
| Cell volume | 3299 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180096 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42. |
7054229.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 {}' |
7054229.cif |
| 123500 | 2014-09-08 | cif/ Updating files of 7054229, 7054230, 7054231, 7054232 Original log message: Adding full bibliography for 7054229--7054232.cif. |
7054229.cif |
| 114959 | 2014-05-31 | cif/ Adding structures of 7054229, 7054230, 7054231, 7054232 via cif-deposit CGI script. |
7054229.cif |
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Users of the data should acknowledge the original authors of the
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