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Information card for entry 4505324
Preview
| Coordinates | 4505324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H40 Au2 N2 O8 S4 |
|---|---|
| Calculated formula | C22 H40 Au2 N2 O8 S4 |
| SMILES | [Au]12[Au]([S]=C(N3CCOCCOCCOCCOCC3)S2)SC(N2CCOCCOCCOCCOCC2)=[S]1 |
| Title of publication | Self-Assembly of Gold(I) Compounds with (Aza-15-crown-5)dithiocarbamate and 2-Mercapto-4-methyl-5-thiazoleacetic Acid |
| Authors of publication | Tzeng, Biing-Chiau; Liu, Wei-Hsin; Liao, Ju-Hsiou; Lee, Gene-Hsiang; Peng, Shie-Ming |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2004 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 573 |
| a | 8.1657 ± 0.0002 Å |
| b | 8.6329 ± 0.0002 Å |
| c | 11.2093 ± 0.0003 Å |
| α | 75.0558 ± 0.001° |
| β | 85.0939 ± 0.0011° |
| γ | 88.4651 ± 0.0015° |
| Cell volume | 760.65 ± 0.03 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179588 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53. |
4505324.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 {}' |
4505324.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505324.cif |
| 51386 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505324 via cif-deposit CGI script. |
4505324.cif |
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Users of the data should acknowledge the original authors of the
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