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Information card for entry 1509255
Preview
| Coordinates | 1509255.cif |
|---|---|
| Structure factors | 1509255.hkl |
| Original paper (by DOI) | HTML |
| Formula | C49 H36 Co N2 O6 |
|---|---|
| Calculated formula | C49 H36 Co N2 O6 |
| SMILES | [Co]123(Oc4c(cccc4)C(=[O]1)c1ccccc1)(Oc1c(cccc1)C(=[O]2)c1ccccc1)[n]1ccccc1c1cccc[n]31.c1(O)c(cccc1)C(=O)c1ccccc1 |
| 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 | 9.5296 ± 0.0015 Å |
| b | 22.753 ± 0.004 Å |
| c | 20.084 ± 0.003 Å |
| α | 90° |
| β | 111.229 ± 0.004° |
| γ | 90° |
| Cell volume | 4059.2 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0993 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1297 |
| Weighted residual factors for all reflections included in the refinement | 0.1434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181862 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1509255.cif 1509255.hkl |
| 180706 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1509255.cif 1509255.hkl |
| 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. |
1509255.cif 1509255.hkl |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1509255.cif 1509255.hkl |
| 82088 | 2013-04-22 | cif/ hkl/ Adding structures of 1509255 via cif-deposit CGI script. |
1509255.cif 1509255.hkl |
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Users of the data should acknowledge the original authors of the
structural data.