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Information card for entry 4063063
Preview
| Coordinates | 4063063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H131 N3 O15 Si6 Zn8 |
|---|---|
| Calculated formula | C71 H131 N3 O15 Si6 Zn8 |
| SMILES | [Zn]12(C)[O]3[Zn](C)[O][Si]4(N([Si](C)(C)C)c5c(cccc5C(C)C)C(C)C)[O]5[Zn]67([O]8CCOCC8)[O]([Si](N([Si](C)(C)C)c8c(cccc8C(C)C)C(C)C)([O]18[Zn]C)[O]2[Zn]5C)[Zn]8(C)[O]7[Si]3([O]([Zn](C)[O]46)[Zn](C)[O]1CCOCC1)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C.O1CCOCC1.c1(ccccc1)C |
| Journal of publication | Organometallics |
| Year of publication | 2004 |
| a | 12.893 ± 0.003 Å |
| b | 13.297 ± 0.003 Å |
| c | 15.071 ± 0.003 Å |
| α | 68.66 ± 0.03° |
| β | 69.74 ± 0.03° |
| γ | 79.88 ± 0.03° |
| Cell volume | 2254.4 ± 0.8 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| 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. |
4063063.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4063063.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063063.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. |
4063063.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/' |
4063063.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4063063.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. |
4063063.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) |
4063063.cif |
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Users of the data should acknowledge the original authors of the
structural data.