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Information card for entry 4104083
Preview
| Coordinates | 4104083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 I6 N13 O2 Zn3 |
|---|---|
| Calculated formula | C42 I6 N13 O2 Zn3 |
| Title of publication | Formation of a Thermally Stable, Porous Coordination Network via a Crystalline-to-Amorphous-to-Crystalline Phase Transition |
| Authors of publication | Kazuaki Ohara; Javier Martí-Rujas; Tsuyoshi Haneda; Masaki Kawano; Daisuke Hashizume; Fujio Izumi; Makoto Fujita |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 3860 - 3861 |
| a | 12.8366 ± 0.0006 Å |
| b | 33.108 ± 0.001 Å |
| c | 6.2214 ± 0.0003 Å |
| α | 90° |
| β | 99.818 ± 0.003° |
| γ | 90° |
| Cell volume | 2605.33 ± 0.19 Å3 |
| Ambient diffraction temperature | 95 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0364 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.99967 Å |
| Diffraction radiation type | Synchrotron |
| 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. |
4104083.cif |
| 134573 | 2015-04-01 | cod/ (robertas@burundukas) The 'cif_fix_values' script was applied on the CIF files, which had notes in the COD database's table 'validations' generated by the 'cif_validate' validator about misspelling of the enumerable values of the data item '_symmetry_cell_setting'. There was used the option '--fix-only-misspelled'. And there were used 'cif_filter' later in the pipe. Read the log for more details. There were 595 distinct CIF files which had messages from validator. The 'cif_fix_values' script generated 417 messages about corrected misspelled values of enumerators to the log file. Some messages were generated by 'cif_filter' and some changes by the 'cif_filter' were done without messaging to the log file. The 'cif_fix_value' script corrected the enumerators of all data items presented in the file for the replacement of the misspelled values. |
4104083.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104083.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104083.cif |
| 28590 | 2011-10-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4104083 via cif-deposit CGI script. |
4104083.cif |
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Users of the data should acknowledge the original authors of the
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