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Information card for entry 4080981
Preview
| Coordinates | 4080981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H30 Au B F4 N4 |
|---|---|
| Calculated formula | C24 H30 Au B F4 N4 |
| SMILES | [Au](=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N2N(c3c1cccc3)CCCC2.[B](F)(F)(F)[F-] |
| Title of publication | Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions |
| Authors of publication | Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 13 |
| Pages of publication | 3685 |
| a | 10.3775 ± 0.001 Å |
| b | 13.4807 ± 0.0013 Å |
| c | 17.2073 ± 0.0016 Å |
| α | 90° |
| β | 98.989 ± 0.003° |
| γ | 90° |
| Cell volume | 2377.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178698 (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 4/08/09. |
4080981.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 {}' |
4080981.cif |
| 87964 | 2013-08-27 | cif/ Adding structures of 4080980, 4080981, 4080982, 4080983, 4080984, 4080985, 4080986 via cif-deposit CGI script. |
4080981.cif |
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Users of the data should acknowledge the original authors of the
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