Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518591
Preview
| Coordinates | 1518591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Au_G |
|---|---|
| Formula | C18 H4 Au2 F8 N4 |
| Calculated formula | C18 H4 Au2 F8 N4 |
| SMILES | [Au](C#[N]c1ccc([N]#C[Au]c2c(F)c(F)nc(F)c2F)cc1)c1c(F)c(F)nc(F)c1F |
| Title of publication | Interconvertible multiple photoluminescence color of a gold(i) isocyanide complex in the solid state: solvent-induced blue-shifted and mechano-responsive red-shifted photoluminescence |
| Authors of publication | Seki, Tomohiro; Ozaki, Taichi; Okura, Takuma; Asakura, Kiyotaka; Sakon, Aya; Uekusa, Hidehiro; Ito, Hajime |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 2187 |
| a | 3.5707 ± 0.0003 Å |
| b | 10.3087 ± 0.001 Å |
| c | 14.2742 ± 0.0011 Å |
| α | 107.689 ± 0.004° |
| β | 92.505 ± 0.005° |
| γ | 100.205 ± 0.005° |
| Cell volume | 489.99 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Ambient diffracton pressure | 101.3 kPa |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1134 |
| Residual factor for significantly intense reflections | 0.1008 |
| Weighted residual factors for significantly intense reflections | 0.2546 |
| Weighted residual factors for all reflections included in the refinement | 0.2713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518591.cif |
| 134892 | 2015-04-06 | cif/ Updating files of 1518590, 1518591, 1518592 Original log message: Adding full bibliography for 1518590--1518592.cif. |
1518591.cif |
| 130020 | 2015-01-22 | cif/ Adding structures of 1518590, 1518591, 1518592 via cif-deposit CGI script. |
1518591.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.