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Information card for entry 7216302
Preview
| Coordinates | 7216302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49.5 H30.5 Br8 F1.5 N4 |
|---|---|
| Calculated formula | C49.5 H30.5 Br8 F1.5 N4 |
| Title of publication | Analysis of pi?halogen dimer interactions present in a family of staircase inclusion compounds |
| Authors of publication | Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 75 |
| Pages of publication | 422 |
| a | 13.683 ± 0.004 Å |
| b | 13.897 ± 0.004 Å |
| c | 14.413 ± 0.005 Å |
| α | 64.7 ± 0.03° |
| β | 82.12 ± 0.02° |
| γ | 67.52 ± 0.03° |
| Cell volume | 2288.4 ± 1.5 Å3 |
| Cell temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.06 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.64 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180494 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/63. |
7216302.cif |
| 115360 | 2014-06-03 | cif/ Adding structures of 7216302 via cif-deposit CGI script. |
7216302.cif |
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Users of the data should acknowledge the original authors of the
structural data.