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Information card for entry 2239557
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| Coordinates | 2239557.cif |
|---|---|
| Structure factors | 2239557.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | {Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^<i>O</i>,<i>O</i>'}bis(triphenylphosphane-κ<i>P</i>)copper(I) |
|---|---|
| Formula | C44 H41 Cu N O5 P3 S |
| Calculated formula | C44 H41 Cu N O5 P3 S |
| SMILES | c1(ccccc1)S1(=NP(=[O][Cu](O1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(OC)OC)=O |
| Title of publication | {Dimethyl [(phenylsulfonyl)amido]phosphato-κ^2^<i>O</i>,<i>O</i>'}bis(triphenylphosphane-κ<i>P</i>)copper(I) |
| Authors of publication | Moroz, Olesia V.; Trush, Viktor A.; Sliva, Tatiana Yu.; Znovjyak, Kateryna O.; Amirkhanov, Vladimir M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | m209 - m210 |
| a | 12.8657 ± 0.0012 Å |
| b | 26.281 ± 0.003 Å |
| c | 13.971 ± 0.003 Å |
| α | 90° |
| β | 121.875 ± 0.01° |
| γ | 90° |
| Cell volume | 4011.6 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1895 |
| Residual factor for significantly intense reflections | 0.0856 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239557.cif 2239557.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239557.cif 2239557.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239557.cif 2239557.hkl |
| 113934 | 2014-05-18 | cif/ hkl/ Adding structures of 2239557 via cif-deposit CGI script. |
2239557.cif 2239557.hkl |
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Users of the data should acknowledge the original authors of the
structural data.