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Information card for entry 2240230
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| Coordinates | 2240230.cif |
|---|---|
| Structure factors | 2240230.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Di-μ-iodido-bis[(dimethyl sulfoxide-κ<i>O</i>)(triphenylphosphane-κ<i>P</i>)copper(I)] |
|---|---|
| Formula | C40 H42 Cu2 I2 O2 P2 S2 |
| Calculated formula | C40 H42 Cu2 I2 O2 P2 S2 |
| SMILES | S(C)(C)=[O][Cu]1([I][Cu]([I]1)([O]=S(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of di-μ-iodido-bis[(dimethyl sulfoxide-κ<i>O</i>)(triphenylphosphane-κ<i>P</i>)copper(I)] |
| Authors of publication | Kinghat, Rodolphe; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 547 - 549 |
| a | 8.6099 ± 0.0002 Å |
| b | 9.3435 ± 0.0002 Å |
| c | 14.5279 ± 0.0004 Å |
| α | 91.016 ± 0.001° |
| β | 104.049 ± 0.001° |
| γ | 116.004 ± 0.001° |
| Cell volume | 1008.6 ± 0.04 Å3 |
| Cell temperature | 115 K |
| Ambient diffraction temperature | 115 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240230.cif 2240230.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240230.cif 2240230.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240230.cif 2240230.hkl |
| 127775 | 2014-11-22 | cif/ hkl/ Adding structures of 2240230 via cif-deposit CGI script. |
2240230.cif 2240230.hkl |
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Users of the data should acknowledge the original authors of the
structural data.