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Information card for entry 7206476
Preview
| Coordinates | 7206476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H132 Cu6 I9 N3 |
|---|---|
| Calculated formula | C60 H132 Cu6 I9 N3 |
| SMILES | [I]12345[Cu]6789%10[I]%11[Cu]%12%1339([I][Cu]4%10%11%13[I]7)[I][Cu]341%12[I][Cu]1754[I][Cu]287([I]6)[I]31.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC.[N+](CCCCC)(CCCCC)(CCCCC)CCCCC |
| Title of publication | Size matters—sometimes. The [CuxIy](y−x)−(NR4)+(y−x) systems |
| Authors of publication | Jalilian, Ehsan; Lidin, Sven |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 19 |
| Pages of publication | 5730 |
| a | 12.5384 ± 0.0001 Å |
| b | 24.4794 ± 0.0004 Å |
| c | 14.7686 ± 0.0002 Å |
| α | 90° |
| β | 110.433 ± 0.0015° |
| γ | 90° |
| Cell volume | 4247.76 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0649 |
| Goodness-of-fit parameter for significantly intense reflections | 0.74 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.74 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180395 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/64. |
7206476.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206476.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206476.cif |
| 27995 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206473, 7206474, 7206475, 7206476, 7206477, 7206478 via cif-deposit CGI script. |
7206476.cif |
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Users of the data should acknowledge the original authors of the
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