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Information card for entry 1515962
Preview
| Coordinates | 1515962.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H84 N48 Zn12 |
|---|---|
| Calculated formula | C120 H72 N48 O6 Zn12 |
| Title of publication | High thermal and chemical stability in pyrazolate-bridged metal‒organic frameworks with exposed metal sites |
| Authors of publication | Colombo, Valentina; Galli, Simona; Choi, Hye Jin; Han, Ggoch Ddeul; Maspero, Angelo; Palmisano, Giovanni; Masciocchi, Norberto; Long, Jeffrey R. |
| Journal of publication | Chemical Science |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 7 |
| Pages of publication | 1311 |
| a | 18.5474 ± 0.0014 Å |
| b | 18.5474 ± 0.0014 Å |
| c | 18.5474 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6380.4 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 222 |
| Hermann-Mauguin space group symbol | P n -3 n |
| Hall space group symbol | -P 4a 2bc 3 |
| Method of determination | powder diffraction |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1515962.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. |
1515962.cif |
| 112690 | 2014-05-04 | cif/ Adding structures of 1515962 via cif-deposit CGI script. |
1515962.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.