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Information card for entry 1512852
Preview
| Coordinates | 1512852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H40 B Co F4 N4 O4 P2 |
|---|---|
| Calculated formula | C44 H40 B Co F4 N4 O4 P2 |
| SMILES | F[B](F)(F)[F-].CCOC1=N[N]2=Cc3c([P]([Co]452(O1)OC(=N[N]4=Cc1c([P]5(c2ccccc2)c2ccccc2)cccc1)OCC)(c1ccccc1)c1ccccc1)cccc3 |
| Title of publication | Synthesis, characterisation and biological activity of Co(III) complex with the condensation product of 2-(diphenylphosphino)benzaldehyde and ethyl carbazate |
| Authors of publication | Milica Milenkovic; Alessia Bacchi; Giulia Cantoni; Sinisa Radulovic; Nevenka Gligorijevic; Sandra Arandelovic; Dusan Sladic; Miroslava Vujcic; Dragana Mitic; Katarina Andelkovic |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 395 |
| Pages of publication | 33 - 43 |
| a | 15.677 ± 0.001 Å |
| b | 13.403 ± 0.001 Å |
| c | 19.949 ± 0.002 Å |
| α | 90° |
| β | 93.012 ± 0.001° |
| γ | 90° |
| Cell volume | 4185.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1512852.cif |
| 176729 | 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 1. |
1512852.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512852.cif |
| 90999 | 2013-11-22 | cif/ Adding structures of 1512852 via cif-deposit CGI script. |
1512852.cif |
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