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Information card for entry 4312641
Preview
| Coordinates | 4312641.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Co N6 S2 |
|---|---|
| Calculated formula | C28 H24 Co N6 S2 |
| Title of publication | Three Topological Isomeric Coordination Polymer Networks from the Assembly of a Rigid Linear Spacer and a Square Planar Metal Node: Structures, Isomerism Control, and Solid-to-Solid Transformation |
| Authors of publication | Dong Mok Shin; In Su Lee; Dahye Cho; Young Keun Chung |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 7722 - 7724 |
| a | 21.31 ± 0.001 Å |
| b | 21.31 ± 0.001 Å |
| c | 17.26 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7838 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.2103 |
| Residual factor for significantly intense reflections | 0.1177 |
| Weighted residual factors for significantly intense reflections | 0.3278 |
| Weighted residual factors for all reflections included in the refinement | 0.3826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179165 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/26. |
4312641.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. |
4312641.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312641.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312641.cif |
| 5654 | 2011-01-05 | ../uploads/cif-deposit/cod/cif Adding structures of 4312641 via cif-deposit CGI script. |
4312641.cif |
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Users of the data should acknowledge the original authors of the
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