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Information card for entry 4072667
Preview
| Coordinates | 4072667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | potassium carbazolate |
|---|---|
| Chemical name | potassium carbazolate |
| Formula | C12 H8 K N |
| Calculated formula | C12 H8 K N |
| SMILES | [K+].[n-]1c2c(cccc2)c2c1cccc2 |
| Title of publication | Structure Determination of Unsolvated Potassium, Rubidium, and Cesium Carbazolates |
| Authors of publication | Dinnebier, Robert; Esbak, Hoda; Olbrich, Falk; Behrens, Ulrich |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 10 |
| Pages of publication | 2604 |
| a | 25.0827 ± 0.0009 Å |
| b | 25.0827 Å |
| c | 7.83554 ± 0.00024 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4269.2 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| RFsqd | 0.09915 |
| Goodness-of-fit parameter for all reflections | 0.9 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178615 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/26. |
4072667.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 {}' |
4072667.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072667.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072667.cif |
| 45944 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072667 via cif-deposit CGI script. |
4072667.cif |
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Users of the data should acknowledge the original authors of the
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