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Information card for entry 4084221
Preview
| Coordinates | 4084221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Au(III)HMDS |
|---|---|
| Chemical name | toste104 |
| Formula | C43 H67 Au N4 S2 Si2 |
| Calculated formula | C43 H67 Au N4 S2 Si2 |
| SMILES | C1(=N\c2c(cccc2C(C)C)C(C)C)/c2cccc3/C(S[Au](S1)([n]23)N([Si](C)(C)C)[Si](C)(C)C)=N/c1c(cccc1C(C)C)C(C)C.C1(CCCC1)C |
| 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 | 14.9748 ± 0.0013 Å |
| b | 20.5171 ± 0.0019 Å |
| c | 17.0555 ± 0.0014 Å |
| α | 90° |
| β | 90.033 ± 0.004° |
| γ | 90° |
| Cell volume | 5240.1 ± 0.8 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 | 0.0456 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| 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. |
4084221.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. |
4084221.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. |
4084221.cif |
| 122157 | 2014-08-18 | cif/ Adding structures of 4084216, 4084217, 4084218, 4084219, 4084220, 4084221, 4084222 via cif-deposit CGI script. |
4084221.cif |
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Users of the data should acknowledge the original authors of the
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