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Information card for entry 4504557
Preview
| Coordinates | 4504557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H11 Cl4 N3 O Pt |
|---|---|
| Calculated formula | C11 H11 Cl4 N3 O Pt |
| SMILES | [Pt](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(cc1)NC(=O)c1ccc[nH+]c1 |
| Title of publication | N−H···Cl2−M Synthon as a Structure-Directing Tool: Crystal Structures of Some Perchlorometallates |
| Authors of publication | Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 216 |
| a | 27.37 ± 0.009 Å |
| b | 6.884 ± 0.002 Å |
| c | 15.483 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2917.2 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.239 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179580 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45. |
4504557.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. |
4504557.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504557.cif |
| 47413 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504557 via cif-deposit CGI script. |
4504557.cif |
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Users of the data should acknowledge the original authors of the
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