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Information card for entry 7206726
Preview
| Coordinates | 7206726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | rubidium triphenylcyanoborate |
|---|---|
| Formula | C19 H15 B N Rb |
| Calculated formula | C19 H15 B N Rb |
| SMILES | N#C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Rb+] |
| Title of publication | Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium |
| Authors of publication | Nazarenko, Alexander Y.; Nemykin, Victor N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 6352 |
| a | 27.406 ± 0.006 Å |
| b | 15.76 ± 0.003 Å |
| c | 15.649 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6759 ± 2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1975 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206726.cif |
| 180398 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/67. |
7206726.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
7206726.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206726.cif |
| 118240 | 2014-06-27 | cif/7 Fixing a few Z/formula values |
7206726.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206726.cif |
| 29993 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206725, 7206726, 7206727 via cif-deposit CGI script. |
7206726.cif |
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Users of the data should acknowledge the original authors of the
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