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Information card for entry 8100542
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| Coordinates | 8100542.cif |
|---|
| Formula | C18 H36 N4 O14 Zr |
|---|---|
| Calculated formula | C18 H36 N4 O14 Zr |
| SMILES | [Zr]123456([N](CC(=O)O1)(CC(=O)O2)CC(=O)O3)[N](CC(=O)O4)(CC(=O)O5)CC(=O)O6.[NH+](C)(C)C.[NH+](C)(C)C.O.O |
| Title of publication | Crystal structure of bis(trimethylammonium) zirconium bis(nitrilotriacetate) dihydrate, [NH(CH~3~)~3~]~2~Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O |
| Authors of publication | Haussühl, Eiken; Giester, G.; Tillmanns, E. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2002 |
| Journal volume | 217 |
| Journal issue | 1 |
| Pages of publication | 69 - 70 |
| a | 9.812 ± 0.002 Å |
| b | 12.026 ± 0.002 Å |
| c | 21.347 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2518.9 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8100542.cif |
| 103365 | 2014-03-03 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100542.cif |
| 100680 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes. |
8100542.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100542.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. |
8100542.cif |
| 63 | 2008-01-31 | Correctin syntax of 10 more CIF files. |
8100542.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/' |
8100542.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100542.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. |
8100542.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) |
8100542.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.