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Information card for entry 2105664
Preview
| Coordinates | 2105664.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C73 H8 Br2 |
|---|---|
| Calculated formula | C73 H8 Br2 |
| SMILES | Brc1ccc(cc1)C1(c2ccc(cc2)Br)C23C41c1c5c6c3c3c7c2c2c8c4c4c1c1c9c5c5c6c6c3c3c%10c7c7c2c2c8c8c4c4c1c1c9c9c5c5c6c3c3c6c%10c7c7c2c2c8c4c4c1c1c9c5c3c3c6c7c2c4c13 |
| Title of publication | Low-Temperature Synchrotron Radiation Study of a Twinned Disordered Crystal of Bis(4,4'-bromophenyl)-61,61-diyl Methano Fullerene C~60~ |
| Authors of publication | Iversen, B. B.; Darovsky, A.; Bolotovsky, R.; Coppens, P. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 2 |
| Pages of publication | 174 - 179 |
| a | 9.863 ± 0.002 Å |
| b | 17.36 ± 0.01 Å |
| c | 11.19 ± 0.05 Å |
| α | 90° |
| β | 102.44 ± 0.01° |
| γ | 90° |
| Cell volume | 1871 ± 8 Å3 |
| Number of distinct elements | 3 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Diffraction radiation wavelength | 0.643 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105664.cif |
| 90946 | 2013-11-21 | cif/2/10/ (saulius@koala.ibt.lt) Adding two structures from the 1998 Acta Cryst. B that were rejected by the COD deposition pipeline because of missing thermal displacement parameters. |
2105664.cif |
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Users of the data should acknowledge the original authors of the
structural data.