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Information card for entry 4120006
Preview
| Coordinates | 4120006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C150 H200 Au13 Cl Cu N O P8 S4 |
|---|---|
| Calculated formula | C1184 H1280 Au104 Cl8 Cu32 N32 O32 P32 S64 |
| Title of publication | Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites |
| Authors of publication | Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 9568 - 9571 |
| a | 42.633 ± 0.008 Å |
| b | 22.6801 ± 0.0018 Å |
| c | 41.556 ± 0.006 Å |
| α | 90° |
| β | 117.75 ± 0.02° |
| γ | 90° |
| Cell volume | 35560 ± 11 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.094 |
| Residual factor for significantly intense reflections | 0.0723 |
| Weighted residual factors for significantly intense reflections | 0.1894 |
| Weighted residual factors for all reflections included in the refinement | 0.2047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4120006.cif |
| 178977 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/00. |
4120006.cif |
| 104875 | 2014-03-11 | cif/ Adding structures of 4120006 via cif-deposit CGI script. |
4120006.cif |
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Users of the data should acknowledge the original authors of the
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