Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568850
Preview
| Coordinates | 1568850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H35 Au F5 I N2 |
|---|---|
| Calculated formula | C35 H35 Au F5 I N2 |
| Title of publication | Exploring Au(i) involving halogen bonding with N-heterocyclic carbene Au(i) aryl complexes in crystalline media |
| Authors of publication | Mikherdov, Alexander S.; Jin, Mingoo; Ito, Hajime |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 17 |
| Pages of publication | 4485 - 4494 |
| a | 9.7941 ± 0.0004 Å |
| b | 10.9878 ± 0.0004 Å |
| c | 17.6423 ± 0.0003 Å |
| α | 88.379 ± 0.002° |
| β | 78.949 ± 0.003° |
| γ | 67.222 ± 0.004° |
| Cell volume | 1715.85 ± 0.11 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1701 |
| Weighted residual factors for all reflections included in the refinement | 0.1768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9977 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283148 (current) | 2023-05-05 | cif/ Updating files of 1568831, 1568832, 1568833, 1568834, 1568835, 1568836, 1568837, 1568838, 1568839, 1568840, 1568841, 1568842, 1568843, 1568844, 1568845, 1568846, 1568847, 1568848, 1568849, 1568850, 1568851, 1568852, 1568853, 1568854 Original log message: Adding full bibliography for 1568831--1568854.cif. |
1568850.cif |
| 282596 | 2023-04-12 | cif/ Adding structures of 1568831, 1568832, 1568833, 1568834, 1568835, 1568836, 1568837, 1568838, 1568839, 1568840, 1568841, 1568842, 1568843, 1568844, 1568845, 1568846, 1568847, 1568848, 1568849, 1568850, 1568851, 1568852, 1568853, 1568854 via cif-deposit CGI script. |
1568850.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.