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Information card for entry 1545546
Preview
| Coordinates | 1545546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Cl2 N4 O Pb |
|---|---|
| Calculated formula | C12 H10 Cl2 N4 O Pb |
| Title of publication | FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds |
| Authors of publication | Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. |
| Journal of publication | Faraday Discuss. |
| Year of publication | 2017 |
| a | 14.0154 ± 0.0006 Å |
| b | 12.5288 ± 0.0005 Å |
| c | 16.4104 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2881.6 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1219 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.1021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194150 (current) | 2017-03-10 | cif/ Adding structures of 1545544, 1545545, 1545546 via cif-deposit CGI script. |
1545546.cif |
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