Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540675
Preview
| Coordinates | 1540675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H33 Au N6 O2 |
|---|---|
| Calculated formula | C51 H33 Au N6 O2 |
| SMILES | c1c2=C(c3ccc4=c5ccc6=C(c7ccc8=C(c(c1)[n]2[Au](n56)([n]34)[n]78)c1ccc(c2ccc(OC)cc12)OC)c1ccc(C#N)cc1)c1ccc(cc1)C#N.c1ccccc1 |
| Title of publication | Structural, electrochemical and spectroelectrochemical study on the geometric and electronic structures of [(corrolato)Au(III)](n) (n = 0, +1, -1) complexes. |
| Authors of publication | Sinha, Woormileela; Sommer, Michael G.; van der Meer, Margarethe; Plebst, Sebastian; Sarkar, Biprajit; Kar, Sanjib |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 2914 - 2923 |
| a | 8.6926 ± 0.0009 Å |
| b | 15.5671 ± 0.0016 Å |
| c | 15.6537 ± 0.0016 Å |
| α | 106.257 ± 0.003° |
| β | 106.034 ± 0.003° |
| γ | 95.639 ± 0.003° |
| Cell volume | 1918.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0609 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1540675.cif |
| 177787 | 2016-03-05 | cif/ Updating files of 1540675 Original log message: Adding full bibliography for 1540675.cif. |
1540675.cif |
| 171390 | 2015-12-10 | cif/ Adding structures of 1540675 via cif-deposit CGI script. |
1540675.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.