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Information card for entry 7017922
Preview
| Coordinates | 7017922.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (E)-2-[2-(diphenylphosphino)benzylidene]hydrazinethiosemicarbazine |
|---|---|
| Formula | C20 H18 N3 P S |
| Calculated formula | C20 H18 N3 P S |
| SMILES | S=C(N/N=C/c1c(P(c2ccccc2)c2ccccc2)cccc1)N |
| Title of publication | Aurophilicity in gold(I) thiosemicarbazone clusters. |
| Authors of publication | Castiñeiras, Alfonso; Pedrido, Rosa |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 4 |
| Pages of publication | 1363 - 1372 |
| a | 8.6649 ± 0.0006 Å |
| b | 13.2989 ± 0.001 Å |
| c | 16.2517 ± 0.0011 Å |
| α | 84.183 ± 0.004° |
| β | 88.693 ± 0.004° |
| γ | 89.976 ± 0.004° |
| Cell volume | 1862.6 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1387 |
| Residual factor for significantly intense reflections | 0.0891 |
| Weighted residual factors for significantly intense reflections | 0.2345 |
| Weighted residual factors for all reflections included in the refinement | 0.2598 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7017922.cif |
| 179883 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/79. |
7017922.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017922.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017922.cif |
| 33462 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017922, 7017923, 7017924, 7017925 via cif-deposit CGI script. |
7017922.cif |
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Users of the data should acknowledge the original authors of the
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