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Information card for entry 8101959
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| Coordinates | 8101959.cif |
|---|
| Common name | pyridine pentaborate pyridine hemisolvate |
|---|---|
| Chemical name | pyridinium tetrahydroxyhexaoxopentaborate pyridine hemisolvate |
| Formula | C7.5 H12.5 B5 N1.5 O10 |
| Calculated formula | C7.5 H12.5 B5 N1.5 O10 |
| Title of publication | Crystal structure of pyridinium tetrahydroxyhexaoxopentaborate pyridine hemisolvate, (C~5~H~6~N)[B~5~O~6~(OH)~4~] · ½C~5~H~5~N |
| Authors of publication | Zhang, W.-J.; Liu, Z.-H. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 189 - 190 |
| a | 15.485 ± 0.01 Å |
| b | 11.554 ± 0.007 Å |
| c | 17.811 ± 0.011 Å |
| α | 90° |
| β | 110.478 ± 0.009° |
| γ | 90° |
| Cell volume | 2985 ± 3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1347 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (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 8. |
8101959.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101959.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101959.cif |
| 12698 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101959 via cif-deposit CGI script. |
8101959.cif |
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