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Information card for entry 2236519
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| Coordinates | 2236519.cif |
|---|---|
| Structure factors | 2236519.hkl |
| Original IUCr paper | HTML |
| Chemical name | Sodium pentafluorophenylborate |
|---|---|
| Formula | C6 H3 B F5 Na |
| Calculated formula | C6 H3 B F5 Na |
| SMILES | [Na+].[BH3]c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Sodium pentafluorophenylborate |
| Authors of publication | Vitze, Hannes; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m1371 |
| a | 4.6813 ± 0.001 Å |
| b | 6.1986 ± 0.0016 Å |
| c | 12.993 ± 0.003 Å |
| α | 90° |
| β | 92.995 ± 0.017° |
| γ | 90° |
| Cell volume | 376.51 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1297 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/65. |
2236519.cif 2236519.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236519.cif 2236519.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236519.cif 2236519.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236519.cif 2236519.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236519.cif 2236519.hkl |
| 70095 | 2012-12-21 | cif/ Adding structures of 2236519 via cif-deposit CGI script. |
2236519.cif |
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Users of the data should acknowledge the original authors of the
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