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Information card for entry 4085129
Preview
| Coordinates | 4085129.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 Bi |
|---|---|
| Calculated formula | C21 H21 Bi |
| SMILES | [Bi](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes |
| Authors of publication | Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 395 |
| a | 9.8001 ± 0.0005 Å |
| b | 10.5018 ± 0.0006 Å |
| c | 16.8532 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1734.51 ± 0.16 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0155 |
| Residual factor for significantly intense reflections | 0.0142 |
| Weighted residual factors for significantly intense reflections | 0.0304 |
| Weighted residual factors for all reflections included in the refinement | 0.0307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178740 (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 4/08/51. |
4085129.cif |
| 130807 | 2015-02-04 | cif/ Updating files of 4085128, 4085129 Original log message: Adding full bibliography for 4085128--4085129.cif. |
4085129.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 {}' |
4085129.cif |
| 129252 | 2014-12-30 | cif/ Adding structures of 4085128, 4085129 via cif-deposit CGI script. |
4085129.cif |
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Users of the data should acknowledge the original authors of the
structural data.