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Information card for entry 1567460
Preview
| Coordinates | 1567460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H5 Br0.12 I0.12 N0.25 O0.5 |
|---|---|
| Calculated formula | C4 H5 Br0.125 I0.125 N0.25 O0.5 |
| Title of publication | Room Temperature Charge-Transfer Phosphorescence from Organic Donor-Acceptor Co-Crystals |
| Authors of publication | Garain, Swadhin; Ansari, Shagufi Shagufi Naz; Kongasseri, Anju; GARAIN, BIDHAN CHANDRA; Pati, Swapan K.; George, Subi J. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 5.69 ± 0.0004 Å |
| b | 8.341 ± 0.0006 Å |
| c | 17.5111 ± 0.0012 Å |
| α | 79.981 ± 0.003° |
| β | 82.483 ± 0.002° |
| γ | 89.991 ± 0.002° |
| Cell volume | 811.16 ± 0.1 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277194 (current) | 2022-08-11 | cif/ Adding structures of 1567459, 1567460 via cif-deposit CGI script. |
1567460.cif |
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Users of the data should acknowledge the original authors of the
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