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Information card for entry 2234183
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| Coordinates | 2234183.cif |
|---|---|
| Structure factors | 2234183.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato- κ^2^<i>O</i>:<i>O</i>'}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>) |
|---|---|
| Formula | C60 H52 Cl8 Cu2 N4 O10 S2 |
| Calculated formula | C60 H52 Cl8 Cu2 N4 O10 S2 |
| SMILES | O1[Cu]234([O]=C(Cc5ccccc5Nc5c(cccc5Cl)Cl)O[Cu]2([O]=C(Cc2ccccc2Nc2c(cccc2Cl)Cl)O3)(OC(Cc2ccccc2Nc2c(cccc2Cl)Cl)=[O]4)([O]=C1Cc1ccccc1Nc1c(cccc1Cl)Cl)[O]=S(C)C)[O]=S(C)C |
| Title of publication | Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato-κ^2^<i>O</i>:<i>O</i>'}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>): a binuclear Cu^II^ complex with the non-steroidal anti-inflammatory drug diclofenac |
| Authors of publication | Sayen, Stéphanie; Guillon, Emmanuel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m474 - m475 |
| a | 10.357 ± 0.005 Å |
| b | 12.787 ± 0.005 Å |
| c | 12.925 ± 0.005 Å |
| α | 81.605 ± 0.005° |
| β | 75.561 ± 0.005° |
| γ | 68.489 ± 0.005° |
| Cell volume | 1539.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181263 (current) | 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 2/23/41. |
2234183.cif 2234183.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. |
2234183.cif 2234183.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234183.cif 2234183.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234183.cif 2234183.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234183.cif 2234183.hkl |
| 55446 | 2012-05-05 | cif/ Adding structures of 2234183 via cif-deposit CGI script. |
2234183.cif |
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Users of the data should acknowledge the original authors of the
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