Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106809
Preview
| Coordinates | 8106809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H45 Cl N4 O Pd |
|---|---|
| Calculated formula | C38 H45 Cl N4 O Pd |
| Title of publication | Crystal structure of [2-(4-methoxyphenyl)pyrazine-κ2 C,N) chlorido[N,N′-bis-(2,6-diisopropyl-phenyl)imidazol-2-ylidene-κC)] palladium(II), C38H45ClN4OPd |
| Authors of publication | Wang, Xin-Ling; Li, Hong-Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 145 - 147 |
| a | 30.1968 ± 0.0008 Å |
| b | 30.1968 ± 0.0008 Å |
| c | 11.4611 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9050.6 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 6 |
| Space group number | 160 |
| Hermann-Mauguin space group symbol | R 3 m :H |
| Hall space group symbol | R 3 -2" |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281240 (current) | 2023-03-02 | cif/ Adding structures of 8106809 via cif-deposit CGI script. |
8106809.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.