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Information card for entry 2019815
Preview
| Coordinates | 2019815.cif |
|---|---|
| Structure factors | 2019815.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(thiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)silver(I) nitrate |
|---|---|
| Formula | C38 H38 Ag N5 O3 P2 S2 |
| Calculated formula | C38 H38 Ag N5 O3 P2 S2 |
| SMILES | [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]=C(N)N)[S]=C(N)N.N(=O)(=O)[O-] |
| Title of publication | Crystal structure of bis(thiourea-κS)bis(triphenylphosphane-κP)silver(I) nitrate |
| Authors of publication | Nawaz, Sidra; Tahir, Muhammad Nawaz; Nadeem, Muhammad Amir; Mehmood, Bushra; Ahmad, Saeed |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 220 |
| a | 15.0519 ± 0.0006 Å |
| b | 15.1758 ± 0.0005 Å |
| c | 17.9186 ± 0.0008 Å |
| α | 90° |
| β | 107.886 ± 0.002° |
| γ | 90° |
| Cell volume | 3895.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1395 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019815.cif 2019815.hkl |
| 180866 | 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 2/01/98. |
2019815.cif 2019815.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. |
2019815.cif 2019815.hkl |
| 130200 | 2015-01-29 | cif/ hkl/ Adding structures of 2019815 via cif-deposit CGI script. |
2019815.cif 2019815.hkl |
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Users of the data should acknowledge the original authors of the
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