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Information card for entry 7234791
Preview
| Coordinates | 7234791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H14 Br4 O6 |
|---|---|
| Calculated formula | C14 H14 Br4 O6 |
| Title of publication | Two-dimensional halogen-bonded organic frameworks based on the tetrabromobenzene-1,4-dicarboxylic acid building molecule |
| Authors of publication | Chongboriboon, Nucharee; Samakun, Kodchakorn; Inprasit, Thitirat; Kielar, Filip; Dungkaew, Winya; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Ninković, Dragan B.; Zarić, Snežana D.; Chainok, Kittipong |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 1 |
| Pages of publication | 24 - 34 |
| a | 24.9223 ± 0.0004 Å |
| b | 9.0196 ± 0.0002 Å |
| c | 8.8869 ± 0.0001 Å |
| α | 90° |
| β | 93.248 ± 0.002° |
| γ | 90° |
| Cell volume | 1994.47 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0182 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.0428 |
| Weighted residual factors for all reflections included in the refinement | 0.0437 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234791.cif |
| 257436 | 2020-10-06 | cif/ Updating files of 7234791, 7234792, 7234793, 7234794, 7234795, 7234796, 7234797, 7234798 Original log message: Adding full bibliography for 7234791--7234798.cif. |
7234791.cif |
| 247656 | 2020-02-04 | cif/ Updating files of 7234791, 7234792, 7234793, 7234794, 7234795, 7234796, 7234797, 7234798 Original log message: Adding full bibliography for 7234791--7234798.cif. |
7234791.cif |
| 220341 | 2019-10-29 | cif/ Adding structures of 7234791, 7234792, 7234793, 7234794, 7234795, 7234796, 7234797, 7234798 via cif-deposit CGI script. |
7234791.cif |
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Users of the data should acknowledge the original authors of the
structural data.