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Information card for entry 1101127
Preview
| Coordinates | 1101127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 Cl2 Hg N4 O2 |
|---|---|
| Calculated formula | C10 H12 Cl2 Hg N4 O2 |
| SMILES | [Hg]1(Cl)(Cl)[n]2c3c(N(C)C(=O)N(C)C3=[O]1)nc(c2C)C |
| Title of publication | Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex. |
| Authors of publication | Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas |
| Journal of publication | Polyhedron |
| Year of publication | 1998 |
| Journal volume | 17 |
| Pages of publication | 3409 - 3418 |
| a | 8.0064 ± 0.0006 Å |
| b | 9.3736 ± 0.0006 Å |
| c | 10.6279 ± 0.0005 Å |
| α | 71.414 ± 0.007° |
| β | 81.536 ± 0.006° |
| γ | 70.904 ± 0.008° |
| Cell volume | 713.59 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| 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. |
1101127.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1101127.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1101127.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. |
1101127.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/' |
1101127.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1101127.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. |
1101127.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) |
1101127.cif |
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Users of the data should acknowledge the original authors of the
structural data.