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Information card for entry 1540558
Preview
| Coordinates | 1540558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | MBar-JCA-1-107 |
|---|---|
| Formula | C40.75 H30.5 Au Cl1.5 Cr N O9 P S |
| Calculated formula | C40.75 H29.5 Au Cl1.5 Cr N O9 P S |
| Title of publication | First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111). |
| Authors of publication | Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V. |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 1422 - 1429 |
| a | 13.4225 ± 0.0014 Å |
| b | 14.2249 ± 0.0015 Å |
| c | 24.728 ± 0.003 Å |
| α | 74.619 ± 0.002° |
| β | 89.572 ± 0.002° |
| γ | 62.126 ± 0.001° |
| Cell volume | 3986.3 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177710 (current) | 2016-03-05 | cif/ Updating files of 1540558 Original log message: Adding full bibliography for 1540558.cif. |
1540558.cif |
| 175899 | 2016-02-04 | cif/ Updating files of 1540558 Original log message: Adding full bibliography for 1540558.cif. |
1540558.cif |
| 170433 | 2015-11-21 | cif/ Adding structures of 1540558 via cif-deposit CGI script. |
1540558.cif |
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Users of the data should acknowledge the original authors of the
structural data.