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Information card for entry 7706444
Preview
| Coordinates | 7706444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H42 Co N14 O S2 |
|---|---|
| Calculated formula | C46 H42 Co N14 O S2 |
| Title of publication | Alignment of axial anisotropy of a mononuclear hexa-coordinated Co(II) complex in a lattice shows improved single molecule magnetic behavior over a 2D coordination polymer having a similar ligand field. |
| Authors of publication | Kharwar, Ajit Kumar; Mondal, Arpan; Konar, Sanjit |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 8 |
| Pages of publication | 2832 - 2840 |
| a | 20.7532 ± 0.0014 Å |
| b | 11.7938 ± 0.001 Å |
| c | 19.5101 ± 0.0014 Å |
| α | 90° |
| β | 109.048 ± 0.002° |
| γ | 90° |
| Cell volume | 4513.8 ± 0.6 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 K |
| Number of distinct elements | 6 |
| 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 | 0.09 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262608 (current) | 2021-03-05 | cif/ Updating files of 7706444 Original log message: Adding full bibliography for 7706444.cif. |
7706444.cif |
| 261070 | 2021-01-20 | cif/ Adding structures of 7706444 via cif-deposit CGI script. |
7706444.cif |
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Users of the data should acknowledge the original authors of the
structural data.