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Information card for entry 2236955
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| Coordinates | 2236955.cif |
|---|---|
| Structure factors | 2236955.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1-Acetylthiourea-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I) |
|---|---|
| Formula | C39 H36 Ag Br N2 O P2 S |
| Calculated formula | C39 H36 Ag Br N2 O P2 S |
| SMILES | C(N)(NC(=O)C)=[S][Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Br |
| Title of publication | (1-Acetylthiourea-κ<i>S</i>)bromidobis(triphenylphosphane-κ<i>P</i>)silver(I) |
| Authors of publication | Pakawatchai, Chaveng; Jantaramas, Piyapong; Mokhagul, Jedsada; Nimthong, Ruthairat |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1506 - m1507 |
| a | 10.4684 ± 0.0012 Å |
| b | 12.9898 ± 0.0014 Å |
| c | 14.8354 ± 0.0016 Å |
| α | 71.091 ± 0.002° |
| β | 80.955 ± 0.003° |
| γ | 72.261 ± 0.002° |
| Cell volume | 1813.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181291 (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 2/23/69. |
2236955.cif 2236955.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. |
2236955.cif 2236955.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236955.cif 2236955.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. | 2236955.cif 2236955.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236955.cif 2236955.hkl |
| 71219 | 2013-01-18 | cif/ Adding structures of 2236955 via cif-deposit CGI script. |
2236955.cif |
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Users of the data should acknowledge the original authors of the
structural data.