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Information card for entry 7201846
Preview
| Coordinates | 7201846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H14 Cu I N2 S3 |
|---|---|
| Calculated formula | C16 H14 Cu I N2 S3 |
| Title of publication | Solvent-dependent copper(i) conformational supramolecular pseudo-polymorphs based on a flexible thioether ligand |
| Authors of publication | Peng, Rong; Deng, Shi-Ren; Li, Mian; Li, Dan; Li, Zao-Ying |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 590 |
| a | 8.3397 ± 0.0007 Å |
| b | 10.5367 ± 0.0009 Å |
| c | 11.5415 ± 0.001 Å |
| α | 71.781 ± 0.002° |
| β | 72.749 ± 0.002° |
| γ | 78.765 ± 0.002° |
| Cell volume | 914.16 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0834 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180349 (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 7/20/18. |
7201846.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201846.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201846.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201846.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.