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Information card for entry 7204159
Preview
| Coordinates | 7204159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Cu4 I2 N6 S4 W |
|---|---|
| Calculated formula | C30 H30 Cu4 I2 N6 S4 W |
| Title of publication | Study on a series of pentanuclear planar 'open' clusters: synthesis, characterization, strong third-order optical nonlinearities and superior optical limiting properties |
| Authors of publication | Zhang, Chi; Song, Yinglin; Kühn, Fritz E.; Wang, Yuxiao; Fun, Hoongkun; Xin, Xinquan |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2002 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 239 |
| a | 22.6131 ± 0.0001 Å |
| b | 23.0681 ± 0.0003 Å |
| c | 30.8375 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16086.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180372 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/41. |
7204159.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. |
7204159.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204159.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204159.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204159.cif |
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Users of the data should acknowledge the original authors of the
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