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Information card for entry 4332672
Preview
| Coordinates | 4332672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H102 N16 O35 P4 S4 Zn6 |
|---|---|
| Calculated formula | C120 H80 N16 O35 P4 S4 Zn6 |
| Title of publication | Three Novel Zinc(II) Sulfonate−Phosphonates with Tetranuclear or Hexanuclear Cluster Units |
| Authors of publication | Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 16 |
| Pages of publication | 6424 - 6430 |
| a | 13.9916 ± 0.0004 Å |
| b | 14.0668 ± 0.0004 Å |
| c | 17.5288 ± 0.0005 Å |
| α | 97.816 ± 0.001° |
| β | 98.731 ± 0.001° |
| γ | 114.932 ± 0.001° |
| Cell volume | 3014.26 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.106 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1555 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.285 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179429 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/26. |
4332672.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. |
4332672.cif |
| 98469 | 2014-01-30 | cif/ Adding structures of 4332672 via cif-deposit CGI script. |
4332672.cif |
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Users of the data should acknowledge the original authors of the
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