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Information card for entry 7125546
Preview
| Coordinates | 7125546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 Cu N2 O7 |
|---|---|
| Calculated formula | C27 H26 Cu N2 O7 |
| 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 | 8.2357 ± 0.0004 Å |
| b | 12.5088 ± 0.0006 Å |
| c | 13.3128 ± 0.0006 Å |
| α | 78.3 ± 0.001° |
| β | 72.117 ± 0.001° |
| γ | 76.681 ± 0.001° |
| Cell volume | 1257.12 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.091 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| 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. |
7125546.cif |
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Users of the data should acknowledge the original authors of the
structural data.