Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7201940
Preview
| Coordinates | 7201940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H42 Au2 Cl2 P2 |
|---|---|
| Calculated formula | C102 H42 Au2 Cl2 P2 |
| SMILES | c1(ccc(cc1)C)[P]([Au]Cl)(c1ccc(cc1)C)c1ccc(cc1)C.c12c3c4c5c1c1c6c7c8c1c1c2c2c9c%10c%11c%12c%13c%10c%10c2c3c2c%10c3c%13c%10c%13c%12c%12c%14c%11c(c19)c8c%14c1c7c7c8c1c%12c%13c1c8c8c9c7c6c5c9c5c4c2c2c3c%10c1c8c52.c1(ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)[Au]Cl |
| Title of publication | Intermolecular forces in intercluster compounds consisting of gold clusters and fullerides and in a series of model compounds C60·2(PR3)AuCl |
| Authors of publication | Schulz-Dobrick, Martin; Jansen, Martin |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 661 |
| a | 12.3426 ± 0.0002 Å |
| b | 12.3426 ± 0.0002 Å |
| c | 73.352 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9677.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0297 |
| Residual factor for significantly intense reflections | 0.0205 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180350 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/19. |
7201940.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201940.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201940.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7201940.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.