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Information card for entry 7201939
Preview
| Coordinates | 7201939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102 H42 Au2 Cl2 O6 P2 |
|---|---|
| Calculated formula | C102 H42 Au2 Cl2 O6 P2 |
| SMILES | c12c3c4c5c1c1c6c7c2c2c8c3c3c9c8c8c%10c%11c%12c%13c%14c%15c%12c%12c%16c%17c%15c%15c%18c%14c%14c%19c%13c%13c%11c8c2c7c%13c%19c6c2c1c1c5c5c6c4c3c(c6c%17c%15c5c1c%18c%142)c%16c9c%10%12.[Au](Cl)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.O(c1ccc([P]([Au]Cl)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)C |
| 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 | 10.8831 ± 0.0003 Å |
| b | 19.0041 ± 0.0006 Å |
| c | 16.5771 ± 0.0005 Å |
| α | 90° |
| β | 90.243 ± 0.001° |
| γ | 90° |
| Cell volume | 3428.5 ± 0.18 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0587 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| 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. |
7201939.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201939.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201939.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. | 7201939.cif |
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