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Information card for entry 4084218
Preview
| Coordinates | 4084218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MWJ-VII-121 |
|---|---|
| Chemical name | toste115 |
| Formula | C31 H37 Au Cl N3 S2 |
| Calculated formula | C31 H37 Au Cl N3 S2 |
| SMILES | c12cccc3/C(=N/c4c(cccc4C(C)C)C(C)C)S[Au]([n]23)(SC\1=N/c1c(cccc1C(C)C)C(C)C)Cl |
| Title of publication | Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors. |
| Authors of publication | Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 16 |
| Pages of publication | 4169 - 4172 |
| a | 8.5127 ± 0.0006 Å |
| b | 21.2079 ± 0.0015 Å |
| c | 20.6703 ± 0.0015 Å |
| α | 90° |
| β | 99.346 ± 0.001° |
| γ | 90° |
| Cell volume | 3682.2 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0479 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0898 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4084218.cif |
| 178731 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/42. |
4084218.cif |
| 123101 | 2014-09-06 | cif/ Updating files of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 Original log message: Adding full bibliography for 4084216--4084222.cif. |
4084218.cif |
| 122157 | 2014-08-18 | cif/ Adding structures of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 via cif-deposit CGI script. |
4084218.cif |
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Users of the data should acknowledge the original authors of the
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