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Information card for entry 8100009
Preview
| Coordinates | 8100009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sodium p-azidobenzenesulfonate pentahydrate |
|---|---|
| Formula | C6 H14 N3 Na O8 S |
| Calculated formula | C6 H14 N3 Na O8 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)N=N#N)[O-].O.[OH2][Na+]([OH2])([OH2])[OH2] |
| Title of publication | Crystal structure of bis(μ~2~-aqua)diaquasodium 4-azido-benzenesulfonate monohydrate, Na(H~2~O)~4~[N~3~C~6~H~4~SO~3~] · H~2~O |
| Authors of publication | Biesemeier, Frank; Harms, Klaus; Müller, Ulrich |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2004 |
| Journal volume | 219 |
| Journal issue | 1 |
| Pages of publication | 39 - 40 |
| a | 7.018 ± 0.001 Å |
| b | 27.193 ± 0.005 Å |
| c | 7.089 ± 0.001 Å |
| α | 90° |
| β | 92.01 ± 0.02° |
| γ | 90° |
| Cell volume | 1352 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200403 (current) | 2017-09-10 | cif/8/10/00/ Changing the value of the _cell_formula_units_Z from '3' to '4' in entry 8100009 after consulting the original publication. |
8100009.cif |
| 200401 | 2017-09-10 | cif/8/10/00/ Updating bibliography in entry 8100009. |
8100009.cif |
| 176728 | 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. |
8100009.cif |
| 106804 | 2014-03-17 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100009.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100009.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. |
8100009.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
8100009.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8100009.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100009.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8100009.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8100009.cif |
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Users of the data should acknowledge the original authors of the
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