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Information card for entry 8102000
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| Coordinates | 8102000.cif |
|---|---|
| External links | PubChem |
| Chemical name | bis(cyclopropyl-4-bromosalicylaldiminato)cobalt(II) |
|---|---|
| Formula | C20 H18 Br2 Co N2 O2 |
| Calculated formula | C20 H18 Br2 Co N2 O2 |
| SMILES | [Co]12(Oc3c(cc(Br)cc3)C=[N]1C1CC1)Oc1c(cc(Br)cc1)C=[N]2C1CC1 |
| Title of publication | Crystal structure of bis(cyclopropyl-4-bromosalicylaldiminato)cobalt (II), Co(C~20~H~18~BrNO)~2~ |
| Authors of publication | Wei, Y.-J.; Wang, F.-W. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 325 - 326 |
| a | 13.295 ± 0.002 Å |
| b | 13.113 ± 0.002 Å |
| c | 23.252 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4053.7 ± 1 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102000.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102000.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102000.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102000.cif |
| 12739 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102000 via cif-deposit CGI script. |
8102000.cif |
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Users of the data should acknowledge the original authors of the
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