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Information card for entry 7030983
Preview
| Coordinates | 7030983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H21 B Bi Cl2 N9 S6 |
|---|---|
| Calculated formula | C21 H21 B Bi Cl2 N9 S6 |
| SMILES | [Bi]12(Cl)(Cl)([S]=C3SC(=NN3[BH](N3N=C(SC3=[S]1)C)N1N=C(SC1=S)C)C)[n]1ccccc1c1[n]2cccc1.N#CC |
| Title of publication | Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands. |
| Authors of publication | Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 28 |
| Pages of publication | 10956 - 10968 |
| a | 8.98994 ± 0.0002 Å |
| b | 11.7912 ± 0.0003 Å |
| c | 15.1964 ± 0.0004 Å |
| α | 93.4539 ± 0.0019° |
| β | 99.5573 ± 0.0019° |
| γ | 99.4185 ± 0.0018° |
| Cell volume | 1560.74 ± 0.07 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0219 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for significantly intense reflections | 0.0406 |
| Weighted residual factors for all reflections included in the refinement | 0.0414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180015 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/09. |
7030983.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 {}' |
7030983.cif |
| 119482 | 2014-07-07 | cif/ Updating files of 7030979, 7030980, 7030981, 7030982, 7030983, 7030984 Original log message: Adding full bibliography for 7030979--7030984.cif. |
7030983.cif |
| 113972 | 2014-05-19 | cif/ Adding structures of 7030983 via cif-deposit CGI script. |
7030983.cif |
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Users of the data should acknowledge the original authors of the
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