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Information card for entry 4132118
Preview
| Coordinates | 4132118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Au6Cl(box)](PF6)5.toluene |
|---|---|
| Formula | C150 H148 Au6 Cl F30 P17 |
| Calculated formula | C150 H148 Au6 Cl F30 P17 |
| 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 | 15.7952 ± 0.0019 Å |
| b | 33.133 ± 0.004 Å |
| c | 19.067 ± 0.002 Å |
| α | 90° |
| β | 111.302 ± 0.002° |
| γ | 90° |
| Cell volume | 9296.8 ± 1.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1492 |
| Weighted residual factors for all reflections included in the refinement | 0.161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242161 (current) | 2019-11-26 | cif/ Adding structures of 4132118 via cif-deposit CGI script. |
4132118.cif |
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Users of the data should acknowledge the original authors of the
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