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Information card for entry 1568845
Preview
| Coordinates | 1568845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H37 Au F5 I N2 |
|---|---|
| Calculated formula | C36 H37 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 | 11.32485 ± 0.00005 Å |
| b | 13.6215 ± 0.00007 Å |
| c | 23.47007 ± 0.00011 Å |
| α | 90° |
| β | 96.4045 ± 0.0004° |
| γ | 90° |
| Cell volume | 3597.93 ± 0.03 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0244 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0468 |
| 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. |
1568845.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. |
1568845.cif |
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Users of the data should acknowledge the original authors of the
structural data.