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Information card for entry 1549189
Preview
| Coordinates | 1549189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H4 Br2 Cl2 |
|---|---|
| Calculated formula | C62 H4 Br2 Cl2 |
| Title of publication | An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 |
| Authors of publication | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 19 |
| Pages of publication | 2729 |
| a | 9.9153 ± 0.0017 Å |
| b | 17.412 ± 0.004 Å |
| c | 10.0478 ± 0.0017 Å |
| α | 90° |
| β | 101.966 ± 0.009° |
| γ | 90° |
| Cell volume | 1697 ± 0.6 Å3 |
| Cell temperature | 303 K |
| Ambient diffraction temperature | 303 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229016 (current) | 2019-11-17 | cif/ Updating files of 1549188, 1549189 Original log message: Adding full bibliography for 1549188--1549189.cif. |
1549189.cif |
| 207228 | 2018-04-05 | cif/ Adding structures of 1549189 via cif-deposit CGI script. |
1549189.cif |
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