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Information card for entry 7205677
Preview
| Coordinates | 7205677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Cl4 Cu N2 |
|---|---|
| Calculated formula | C10 H8 Cl4 Cu N2 |
| SMILES | c1cc(cc[n]1[Cu]([n]1ccc(cc1)Cl)(Cl)Cl)Cl |
| Title of publication | Synthesis and polymorphism of (4-ClpyH)2[CuCl4]: solid‒gas and solid‒solid reactions |
| Authors of publication | Vitorica-Yrezabal, Iñigo J.; Sullivan, Rachel A.; Purver, Stephen L.; Curfs, Caroline; Tang, Chiu C.; Brammer, Lee |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3189 |
| a | 3.787 ± 0.003 Å |
| b | 7.549 ± 0.005 Å |
| c | 11.992 ± 0.008 Å |
| α | 74.198 ± 0.008° |
| β | 88.428 ± 0.007° |
| γ | 85.816 ± 0.007° |
| Cell volume | 329 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 all reflections | 0.1625 |
| Residual factor for significantly intense reflections | 0.1111 |
| Weighted residual factors for significantly intense reflections | 0.2526 |
| Weighted residual factors for all reflections included in the refinement | 0.2743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.6998 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180387 (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 7/20/56. |
7205677.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205677.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205677.cif |
| 20987 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205677, 7205678, 7205679, 7205680 via cif-deposit CGI script. |
7205677.cif |
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Users of the data should acknowledge the original authors of the
structural data.