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Information card for entry 7202639
Preview
| Coordinates | 7202639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) |
|---|---|
| Chemical name | catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) |
| Formula | C8 H4 F2 N4 O2 Pd |
| Calculated formula | C12 H8 F2 N8 O2 Pd |
| Title of publication | Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties |
| Authors of publication | Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2007 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 1939 |
| a | 16.29569 ± 0.00084 Å |
| b | 16.29569 ± 0.00084 Å |
| c | 16.29569 ± 0.00084 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4327.3 ± 0.4 Å3 |
| Cell temperature | 400 K |
| Ambient diffraction temperature | 400 K |
| Number of distinct elements | 6 |
| Space group number | 224 |
| Hermann-Mauguin space group symbol | P n -3 m :2 |
| Hall space group symbol | -P 4bc 2bc 3 |
| Goodness-of-fit parameter for all reflections | 5.025 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7202639.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
7202639.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202639.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202639.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202639.cif |
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