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Information card for entry 7050326
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| Coordinates | 7050326.cif |
|---|
| Formula | C37 H28 Cl2 Hg N2 O6 |
|---|---|
| Calculated formula | C37 H24 Cl2 Hg N2 O6 |
| Title of publication | Molecular tectonics: geometry and energy based analysis of coordination networks |
| Authors of publication | Mir Wais Hosseini; Marc Henry |
| Journal of publication | New J.Chem.(Nouv.J.Chim.) |
| Year of publication | 2004 |
| a | 6.9151 ± 0.0001 Å |
| b | 17.3434 ± 0.0003 Å |
| c | 17.8375 ± 0.0003 Å |
| α | 116.613 ± 0.005° |
| β | 94.225 ± 0.005° |
| γ | 90.319 ± 0.005° |
| Cell volume | 1905.64 ± 0.1 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections | 1.221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277873 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
7050326.cif |
| 277872 | 2022-09-15 | cif/ Reordered data items using the 'cif_filter' program to ensure that future changes to the file result in a minimal number of modified lines. |
7050326.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7050326.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. |
7050326.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/' |
7050326.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7050326.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. |
7050326.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) |
7050326.cif |
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Users of the data should acknowledge the original authors of the
structural data.