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Information card for entry 4132121
Preview
| Coordinates | 4132121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C139 H132 Au6 Cl F30 O3 P17 |
|---|---|
| Calculated formula | C139 H132 Au6 Cl F30 O3 P17 |
| SMILES | [Au]12[Au]34[Au]([Cl][Au]56[Au]78[Au]([P](CC[P]7(CC[P]5(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)[P](CC[P]8(CC[P]6(c5ccccc5)c5ccccc5)c5ccccc5)(c5ccccc5)c5ccccc5)([P](CC[P]3(CC[P]1(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CC[P]4(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC.OC.OC |
| Title of publication | Utilization of a Nonemissive Triphosphine Ligand to Construct a Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a Helical Complex. |
| Authors of publication | Walters, Daniel T.; Aghakhanpour, Reza Babadi; Powers, Xian B.; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Balch, Alan L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 24 |
| Pages of publication | 7533 - 7542 |
| a | 25.058 ± 0.002 Å |
| b | 13.8613 ± 0.0013 Å |
| c | 42.523 ± 0.004 Å |
| α | 90° |
| β | 91.158 ± 0.0013° |
| γ | 90° |
| Cell volume | 14767 ± 2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.1921 |
| Weighted residual factors for all reflections included in the refinement | 0.1949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4132121.cif |
| 242164 | 2019-11-26 | cif/ Adding structures of 4132121 via cif-deposit CGI script. |
4132121.cif |
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