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Information card for entry 7216560
Preview
| Coordinates | 7216560.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H12 Br2 Cl2 N2 |
|---|---|
| Calculated formula | C22 H12 Br2 Cl2 N2 |
| Title of publication | Interlocking molecular grid lattices involving weak assembly forces |
| Authors of publication | Alshahateet, Solhe F.; Rahman, A. Noman M. M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 97 |
| Pages of publication | 585 |
| a | 12.866 ± 0.004 Å |
| b | 13.845 ± 0.004 Å |
| c | 12.361 ± 0.004 Å |
| α | 90° |
| β | 114.8 ± 0.01° |
| γ | 90° |
| Cell volume | 1998.8 ± 1.1 Å3 |
| Cell temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.47 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7216560.cif |
| 180496 | 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 7/21/65. |
7216560.cif |
| 116853 | 2014-06-14 | cif/ Adding structures of 7216560, 7216561 via cif-deposit CGI script. |
7216560.cif |
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Users of the data should acknowledge the original authors of the
structural data.