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Information card for entry 7212930
Preview
| Coordinates | 7212930.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H8 Br2.54 Cl0.46 Cu2 N4 S8 |
|---|---|
| Calculated formula | C16 H8 Br2.545 Cl0.46 Cu2 N4 S8 |
| Title of publication | Metallic coordination supramolecule, [Cu(i)Cl0.2Br1.3(pyra-TTF)0.5+] |
| Authors of publication | Ichikawa, Shun; Takahashi, Kazuyuki; Matsuda, Masaki; Tajima, Hiroyuki; Mori, Hatsumi |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2010 |
| Journal volume | 20 |
| Journal issue | 45 |
| Pages of publication | 10130 |
| a | 11.508 ± 0.007 Å |
| b | 13.522 ± 0.007 Å |
| c | 8.643 ± 0.005 Å |
| α | 106.62 ± 0.02° |
| β | 93.65 ± 0.02° |
| γ | 66.583 ± 0.013° |
| Cell volume | 1180.7 ± 1.2 Å3 |
| Cell temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.716 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7212930.cif |
| 93678 | 2014-01-13 | cif/ Adding structures of 7212929, 7212930, 7212931, 7212932 via cif-deposit CGI script. |
7212930.cif |
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Users of the data should acknowledge the original authors of the
structural data.