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Information card for entry 2019819
Preview
| Coordinates | 2019819.cif |
|---|---|
| Structure factors | 2019819.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(methyltriphenylphosphonium) bis(3,6-dichlorobenzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(2-) dimethyl sulfoxide disolvate |
|---|---|
| Formula | C54 H52 Cl4 Cu O2 P2 S6 |
| Calculated formula | C54 H52 Cl4 Cu O2 P2 S6 |
| SMILES | c12c(ccc(c1S[Cu]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(C)C.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O=S(C)C |
| Title of publication | New isostructural transition metal complexes with a non-innocent dithiolate ligand |
| Authors of publication | Herich, Peter; Fronc, Marek; Kožíšek, Jozef |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 159 |
| a | 13.94737 ± 0.00014 Å |
| b | 11.53304 ± 0.00011 Å |
| c | 16.4799 ± 0.00017 Å |
| α | 90° |
| β | 90.6983 ± 0.0009° |
| γ | 90° |
| Cell volume | 2650.69 ± 0.05 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1146 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019819.cif 2019819.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019819.cif 2019819.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019819.cif 2019819.hkl |
| 130233 | 2015-01-31 | cif/ hkl/ Adding structures of 2019818, 2019819 via cif-deposit CGI script. |
2019819.cif 2019819.hkl |
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