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Information card for entry 4329097
Preview
| Coordinates | 4329097.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-4,4'-bipyrazolato-cu(ii) acetonitrile solvate |
|---|---|
| Formula | C8 H7 Cu N5 |
| Calculated formula | C8 H7 Cu N5 |
| Title of publication | Novel Coordination Frameworks Incorporating the 4,4'-Bipyrazolyl Ditopic Ligand |
| Authors of publication | Claudio Pettinari; Aurel Tăbăcaru; Ishtvan Boldog; Konstantin V. Domasevitch; Simona Galli; Norberto Masciocchi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 5235 - 5245 |
| a | 15.7895 ± 0.0013 Å |
| b | 7.13275 ± 0.00055 Å |
| c | 8.72068 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 982.15 ± 0.13 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| 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 |
|---|---|---|---|
| 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. |
4329097.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. |
4329097.cif |
| 78137 | 2013-04-01 | cif/ Adding structures of 4329097 via cif-deposit CGI script. |
4329097.cif |
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