Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029252
Preview
| Coordinates | 7029252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H48 Au2 Cl2 N4 Ni2 O2 S4 |
|---|---|
| Calculated formula | C22 H48 Au2 Cl2 N4 Ni2 O2 S4 |
| SMILES | C1C[N]23CCC[N]4(CCC2)CC[S]([Ni]34[S]1[Au][S]1CC[N]23CCC[N]4(CC[S]5[Ni]124)CCC3)[Au]5.OC.[Cl-].OC.[Cl-] |
| Title of publication | Versatile N2S2 nickel-dithiolates as mono- and bridging bidentate, S-donor ligands to gold(I). |
| Authors of publication | Pinder, Tiffany A.; Montalvo, Steven K.; Lunsford, Allen M.; Hsieh, Chung-Hung; Reibenspies, Joseph H.; Darensbourg, Marcetta Y. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 138 - 144 |
| a | 8.661 ± 0.002 Å |
| b | 15.988 ± 0.004 Å |
| c | 13.637 ± 0.003 Å |
| α | 90° |
| β | 100.346 ± 0.003° |
| γ | 90° |
| Cell volume | 1857.6 ± 0.8 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029252.cif |
| 179998 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/92. |
7029252.cif |
| 105558 | 2014-03-12 | cif/ Adding structures of 7029251, 7029252, 7029253, 7029254, 7029255 via cif-deposit CGI script. |
7029252.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.