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Information card for entry 1101017
Preview
| Coordinates | 1101017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H32 Cl2 Co2 N8 O6 S4 |
|---|---|
| Calculated formula | C8 H32 Cl2 Co2 N8 O6 S4 |
| SMILES | C1C[NH2][Co]2([NH2]1)(SS(=O)(=O)[O-])([NH2]CC[NH2]2)SS(=O)(=O)[O-].[NH2]1[Co]2(Cl)(Cl)([NH2]CC1)[NH2]CC[NH2]2 |
| Authors of publication | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas |
| Journal of publication | Journal of Coordination Chemistry |
| Year of publication | 2005 |
| Journal volume | 58 |
| Pages of publication | 1099 - 1104 |
| a | 6.3067 ± 0.0004 Å |
| b | 7.782 ± 0.0005 Å |
| c | 12.7658 ± 0.0008 Å |
| α | 100.043 ± 0.001° |
| β | 91.562 ± 0.001° |
| γ | 107.339 ± 0.001° |
| Cell volume | 586.8 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0203 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0539 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1101017.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1101017.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1101017.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. |
1101017.cif |
| 109 | 2008-02-09 | Correcting the '_journal volume' misspelled tag automatically in 47 CIF files: ff \*.cif | xargs grep '^ *_journal volume' | awk -F: '{print $1}' \ | sort | uniq | xargs perl -i -pe 's/^_journal volume/_journal_volume/' |
1101017.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/' |
1101017.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1101017.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. |
1101017.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) |
1101017.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.