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Information card for entry 2209646
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| Coordinates | 2209646.cif |
|---|---|
| Structure factors | 2209646.hkl |
| Original IUCr paper | HTML |
| Chemical name | Sodium perchlorate |
|---|---|
| Formula | Cl X O4 |
| Calculated formula | Cl O4 X |
| Title of publication | Sodium perchlorate in the space group <i>Pnma</i> |
| Authors of publication | Gui-Ling Zhang; Yan-Tuan Li; Zhi-Yong Wu; Yu-Lan Song |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 7 |
| Pages of publication | i150 - i151 |
| a | 9.236 ± 0.007 Å |
| b | 5.809 ± 0.004 Å |
| c | 7.444 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 399.4 ± 0.5 Å3 |
| Cell temperature | 571 ± 2 K |
| Ambient diffraction temperature | 571 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1925 |
| Weighted residual factors for all reflections included in the refinement | 0.2003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249441 (current) | 2020-03-17 | cif/2/20/96/ Switching from COD_ERROR to COD_ENTRY_ISSUE CIF data items to describe the issue of 2209646. |
2209646.cif 2209646.hkl |
| 197617 | 2017-06-07 | cif/2/20/ (antanas@echidna.ibt.lt) Marking entry 2209646 as erroneous since the authors have issued a corrigendum (doi: 10.1107/S2056989017006247) stating that the NH4+ cation was incorrectly identified as the Na+ cation. Since a straighforward replacement of the Na+ ion with the NH4+ ion in the CIF file would most likely result in incorrect data, the 'Na' atom type was replaced with the 'X' to alert software that does not take note of the _cod_error_flag data item. |
2209646.cif 2209646.hkl |
| 181016 | 2016-04-03 | hkl/2/20/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20/96. |
2209646.cif 2209646.hkl |
| 176774 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20. |
2209646.cif 2209646.hkl |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2209646.cif 2209646.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. | 2209646.cif 2209646.hkl |
| 32112 | 2012-02-03 | cif/: committing an update of 45+ thous files, with information appended from the originals. | 2209646.cif 2209646.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2209646.cif 2209646.hkl |
| 26029 | 2011-09-17 | cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names). |
2209646.cif 2209646.hkl |
| 26025 | 2011-09-16 | hkl/2/ Adding assigned Fobs files for the 1980-2010 IUCr data. |
2209646.cif 2209646.hkl |
| 25271 | 2011-09-10 | cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields. |
2209646.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2209646.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2209646.cif |
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