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Information card for entry 2238516
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| Coordinates | 2238516.cif |
|---|---|
| Structure factors | 2238516.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(μ~2~-3,4,5-trimethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc |
|---|---|
| Formula | C44 H56 O22 S2 Zn2 |
| Calculated formula | C44 H56 O22 S2 Zn2 |
| Title of publication | Bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(μ~2~-3,4,5-trimethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc |
| Authors of publication | Deutsch, Diana; Zevaco, Thomas; Walter, Olaf |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m519 |
| a | 18.854 ± 0.002 Å |
| b | 13.937 ± 0.002 Å |
| c | 19.249 ± 0.002 Å |
| α | 90° |
| β | 90.082 ± 0.003° |
| γ | 90° |
| Cell volume | 5058 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1081 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238516.cif 2238516.hkl |
| 181307 | 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 2/23/85. |
2238516.cif 2238516.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. |
2238516.cif 2238516.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238516.cif 2238516.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238516.cif 2238516.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238516.cif 2238516.hkl |
| 88653 | 2013-10-02 | cif/ Adding structures of 2238516 via cif-deposit CGI script. |
2238516.cif |
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Users of the data should acknowledge the original authors of the
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