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Information card for entry 7125545
Preview
| Coordinates | 7125545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 Cl4 Co2 N4 O4 |
|---|---|
| Calculated formula | C44 H32 Cl4 Co2 N4 O4 |
| Title of publication | Three unique coordination geometries involving 1,2-dimethoxy-4,5-bis(2-pyridylethynyl)benzene |
| Authors of publication | Fiscus, Jeffrey E.; Shotwell, Sandra; Layland, Ralph C.; Smith, Mark D.; zur Loye, Hans-Conrad; Bunz, Uwe H. F. |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 24 |
| Pages of publication | 2674 |
| a | 8.5272 ± 0.0006 Å |
| b | 18.3653 ± 0.0013 Å |
| c | 13.3493 ± 0.0009 Å |
| α | 90° |
| β | 103.574 ± 0.002° |
| γ | 90° |
| Cell volume | 2032.2 ± 0.2 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0504 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244003 (current) | 2019-11-28 | cif/ Adding structures of 7125545, 7125546, 7125547 via cif-deposit CGI script. |
7125545.cif |
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Users of the data should acknowledge the original authors of the
structural data.