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Information card for entry 4081323
Preview
| Coordinates | 4081323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26.67 H36.67 Au B Cl4 F4 N4 |
|---|---|
| Calculated formula | C26.6667 H36.6667 Au B Cl4 F4 N4 |
| Title of publication | Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III) |
| Authors of publication | Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 16 |
| Pages of publication | 4591 |
| a | 40.5846 ± 0.0015 Å |
| b | 10.9152 ± 0.0004 Å |
| c | 25.3892 ± 0.0009 Å |
| α | 90° |
| β | 116.748 ± 0.001° |
| γ | 90° |
| Cell volume | 10043.6 ± 0.6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0878 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178702 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/13. |
4081323.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 {}' |
4081323.cif |
| 89199 | 2013-10-09 | cif/ Adding structures of 4081318, 4081319, 4081320, 4081321, 4081322, 4081323, 4081324 via cif-deposit CGI script. |
4081323.cif |
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