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Information card for entry 4339868
Preview
| Coordinates | 4339868.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H46 Co N4 |
|---|---|
| Calculated formula | C36 H46 Co N4 |
| SMILES | c1ccc2C(C)=[N](c3c(cccc3C(C)C)C(C)C)[Co]3(n12)n1cccc1C(C)=[N]3c1c(cccc1C(C)C)C(C)C |
| Title of publication | Synthesis and characterization of tetrahedral and square planar Bis(iminopyrrolyl) complexes of cobalt(II). |
| Authors of publication | Carabineiro, Sónia A; Silva, Leonel C.; Gomes, Pedro T.; Pereira, Laura C. J.; Veiros, Luís F; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Henriques, Rui T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6880 - 6890 |
| a | 8.1966 ± 0.0014 Å |
| b | 9.0582 ± 0.0016 Å |
| c | 11.615 ± 0.002 Å |
| α | 69.06 ± 0.002° |
| β | 79.503 ± 0.002° |
| γ | 80.932 ± 0.002° |
| Cell volume | 787.9 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for all reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.0419 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1132 |
| Diffraction radiation wavelength | 0.6814 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339868.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4339868.cif |
| 117591 | 2014-06-15 | cif/ Adding structures of 4339866, 4339867, 4339868 via cif-deposit CGI script. |
4339868.cif |
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Users of the data should acknowledge the original authors of the
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