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Information card for entry 4504663
Preview
| Coordinates | 4504663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H32 Au O3 P S2 |
|---|---|
| Calculated formula | C30 H32 Au O3 P S2 |
| Title of publication | Pseudo-polymorphism in the Tri(o-tolyl)phosphinegold(I) 2-Mercaptobenzoates: Crystallographic, Thermal Decomposition, and Luminescence Studies |
| Authors of publication | Yun, Sock-Sung; Kim, Jae-Kyung; Jung, Jae-Sun; Park, Changmoon; Kang, Jun-Gill; Smyth, Douglas R.; Tiekink, Edward R. T. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 899 |
| a | 14.493 ± 0.005 Å |
| b | 16.245 ± 0.006 Å |
| c | 13.644 ± 0.003 Å |
| α | 107.19 ± 0.02° |
| β | 90.52 ± 0.03° |
| γ | 101.71 ± 0.03° |
| Cell volume | 2996.8 ± 1.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 173 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 | 0.134 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4504663.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 {}' |
4504663.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504663.cif |
| 47467 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504663 via cif-deposit CGI script. |
4504663.cif |
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Users of the data should acknowledge the original authors of the
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