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Information card for entry 4318413
Preview
| Coordinates | 4318413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H34 Cl Co N6 O6 |
|---|---|
| Calculated formula | C23 H34 Cl Co N6 O6 |
| SMILES | c1cccc2C[NH]3[C@H](C)C(C)=[N](O)[Co]43(C(C)C)([n]12)N(=C(C(C)=[N]4Cc1ccccn1)C)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | New Alkyl-Cobalt(III) Complexes Containing Chiral Centers in the Chelating System |
| Authors of publication | Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Mauro Sandri; Giovanni Tauzher |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 4548 - 4554 |
| a | 11.43 ± 0.004 Å |
| b | 11.71 ± 0.004 Å |
| c | 19.882 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2661.1 ± 1.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0757 |
| Weighted residual factors for significantly intense reflections | 0.1907 |
| Weighted residual factors for all reflections included in the refinement | 0.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179264 (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 4/31/84. |
4318413.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. |
4318413.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318413.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318413.cif |
| 15126 | 2011-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4318413 via cif-deposit CGI script. |
4318413.cif |
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Users of the data should acknowledge the original authors of the
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