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Information card for entry 1509256
Preview
| Coordinates | 1509256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H26 Co N2 O4 |
|---|---|
| Calculated formula | C38 H26 Co N2 O4 |
| SMILES | [Co]123(Oc4c(cccc4)C(=[O]1)c1ccccc1)(Oc1c(cccc1)C(=[O]2)c1ccccc1)[n]1cccc2ccc4ccc[n]3c4c12 |
| Title of publication | Synthesis, Characterization, Thermal and Theoretical Studies of Cobalt(II) Addition Compounds with 2-Hydroxy-phenones and α-Diimines. Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)2(bipy)] -2-hydoxy-benzophenoneH (3) and [Co(2-hydroxy-benzophenone)2(phen)] (8) |
| Authors of publication | Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós; Michael P. Sigalas; Maria Lalia-Kantouri |
| Journal of publication | Polyhedron |
| Year of publication | 2011 |
| Journal volume | 30 |
| Pages of publication | 486 - 496 |
| a | 11.602 ± 0.001 Å |
| b | 17.185 ± 0.002 Å |
| c | 16.951 ± 0.002 Å |
| α | 90° |
| β | 92.18 ± 0.01° |
| γ | 90° |
| Cell volume | 3377.3 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1509256.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1509256.cif |
| 82089 | 2013-04-22 | cif/ Adding structures of 1509256 via cif-deposit CGI script. |
1509256.cif |
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Users of the data should acknowledge the original authors of the
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