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Information card for entry 1101074
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| Coordinates | 1101074.cif |
|---|
| Formula | C34 H34 Cu2 N14 O14 |
|---|---|
| Calculated formula | C34 H22 Cu2 N14 O14 |
| SMILES | [Cu]12([n]3cnn4c3nc(O[Cu]3([n]5cnn6c5nc(O1)cc6)([n]1c5c6[n]3cccc6ccc5ccc1)[OH2])cc4)([n]1c3c4[n]2cccc4ccc3ccc1)[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O |
| Authors of publication | Mohammad Abul Haj; Miguel Quirós; Juan M. Salas; José A. Dobado; José Molina Molina; Manuel G. Basallote; M. Ángeles Máñez |
| Journal of publication | European Journal of Inorganic Chemistry |
| Year of publication | 2002 |
| Pages of publication | 811 - 818 |
| a | 11.9565 ± 0.0015 Å |
| b | 14.422 ± 0.003 Å |
| c | 23.888 ± 0.004 Å |
| α | 90° |
| β | 104.132 ± 0.01° |
| γ | 90° |
| Cell volume | 3994.5 ± 1.2 Å3 |
| Cell temperature | 295 ± 1 K |
| Ambient diffraction temperature | 295 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1386 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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 1. |
1101074.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1101074.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. |
1101074.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. |
1101074.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/' |
1101074.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1101074.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. |
1101074.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) |
1101074.cif |
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Users of the data should acknowledge the original authors of the
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