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Information card for entry 2237906
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| Coordinates | 2237906.cif |
|---|---|
| Structure factors | 2237906.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cyclo</i>-Tetrakis(μ~2~-<i>D</i>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate |
|---|---|
| Formula | C20 H55.5 N4 O17.75 Pd4 S4 |
| Calculated formula | C20 H55.5 N4 O17.75 Pd4 S4 |
| Title of publication | <i>cyclo</i>-Tetrakis(μ~2~-<small>D</small>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate |
| Authors of publication | Yokoi, Anzu; Yoshinari, Nobuto; Konno, Takumi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | m288 - m289 |
| a | 12.4517 ± 0.0003 Å |
| b | 13.268 ± 0.0004 Å |
| c | 15.1666 ± 0.0011 Å |
| α | 113.527 ± 0.008° |
| β | 98.425 ± 0.007° |
| γ | 108.557 ± 0.008° |
| Cell volume | 2067.3 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0259 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.0621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237906.cif 2237906.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. |
2237906.cif 2237906.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237906.cif 2237906.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237906.cif 2237906.hkl |
| 86587 | 2013-07-11 | cif/ Adding structures of 2237906 via cif-deposit CGI script. |
2237906.cif |
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Users of the data should acknowledge the original authors of the
structural data.