Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1101073
Preview
| Coordinates | 1101073.cif |
|---|
| Formula | C20 H20 Cu2 N16 O8 |
|---|---|
| Calculated formula | C20 H20 Cu2 N16 O8 |
| SMILES | [Cu]([OH2])(n1c(=O)ccn2nc[n]([Cu]345[OH2])c12)(n1c(=O)ccn2nc[n]5c12)([n]1cnn2ccc(=O)n3c12)[n]1cnn2ccc(=O)n4c12.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 | 10.2473 ± 0.0005 Å |
| b | 16.1318 ± 0.0008 Å |
| c | 16.2087 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2679.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.1138 |
| Weighted residual factors for significantly intense reflections | 0.1913 |
| 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. |
1101073.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1101073.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. |
1101073.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/' |
1101073.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1101073.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. |
1101073.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) |
1101073.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.