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Information card for entry 1508199
Preview
| Coordinates | 1508199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H80 Cl3 Mn2 N8 Na3 O75 Se2 W19 |
|---|---|
| Calculated formula | C12 Cl1.5 Mn2 N6 O71.7 Se2 W19 |
| Title of publication | Integrated 3D-printed reactionware for chemical synthesis and analysis. |
| Authors of publication | Symes, Mark D.; Kitson, Philip J.; Yan, Jun; Richmond, Craig J.; Cooper, Geoffrey J. T.; Bowman, Richard W.; Vilbrandt, Turlif; Cronin, Leroy |
| Journal of publication | Nature chemistry |
| Year of publication | 2012 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 349 - 354 |
| a | 36.022 ± 0.003 Å |
| b | 20.6218 ± 0.0013 Å |
| c | 17.8132 ± 0.0013 Å |
| α | 90° |
| β | 110.322 ± 0.005° |
| γ | 90° |
| Cell volume | 12408.7 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.137 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508199.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 {}' |
1508199.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508199.cif |
| 62745 | 2012-07-09 | cif/ Adding structures of 1508199 via cif-deposit CGI script. |
1508199.cif |
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