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Information card for entry 2018340
Preview
| Coordinates | 2018340.cif |
|---|---|
| Structure factors | 2018340.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cyclo</i>-tetrakis(μ-1,1-dioxo-1λ^6^,2-benzothiazole-3-thiolato- κ^2^<i>S</i>:<i>S</i>)tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)] |
|---|---|
| Formula | C100 H76 Ag4 N4 O8 P4 S8 |
| Calculated formula | C100 H76 Ag4 N4 O8 P4 S8 |
| SMILES | [P]([Ag]1[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]([Ag]([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1C1=NS(=O)(=O)c2c1cccc2)C1=NS(=O)(=O)c2c1cccc2)C1=NS(=O)(=O)c2c1cccc2)C1=NS(=O)(=O)c2c1cccc2)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A triclinic polymorph of <i>cyclo</i>-tetra-μ-thiosaccharinato-κ^8^<i>S</i>:<i>S</i>-tetrakis[(triphenylphosphane-κ<i>P</i>)silver(I)] |
| Authors of publication | Dennehy, Mariana; Freire, Eleonora; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m17 - m20 |
| a | 15.3566 ± 0.001 Å |
| b | 14.1309 ± 0.0007 Å |
| c | 14.0768 ± 0.0006 Å |
| α | 77.771 ± 0.004° |
| β | 123.88 ± 0.003° |
| γ | 86.465 ± 0.001° |
| Cell volume | 2416.9 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.1311 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018340.cif 2018340.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018340.cif 2018340.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018340.cif 2018340.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. | 2018340.cif 2018340.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018340.cif 2018340.hkl |
| 32138 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018340 via cif-deposit CGI script. |
2018340.cif |
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