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Information card for entry 4510661
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| Coordinates | 4510661.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cd(ii) |
|---|---|
| Formula | C10 H12 Cd N4 |
| Calculated formula | C9 H12 Cd N4 |
| Title of publication | Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers |
| Authors of publication | Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 3087 |
| a | 9.132637 ± 0.00007 Å |
| b | 9.132637 ± 0.00007 Å |
| c | 23.09972 ± 0.00024 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1668.51 ± 0.03 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Method of determination | powder diffraction |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4510661.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. |
4510661.cif |
| 113113 | 2014-05-08 | cif/ Adding structures of 4510661 via cif-deposit CGI script. |
4510661.cif |
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