Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126106
Preview
| Coordinates | 4126106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 Br3 N4 O4 Pd |
|---|---|
| Calculated formula | C8 H24 Br3 N4 O4 Pd |
| Title of publication | Multiple-Hydrogen-Bond Approach to Uncommon Pd(III) Oxidation State: A Pd-Br Chain with High Conductivity and Thermal Stability. |
| Authors of publication | Mian, Mohammad Rasel; Iguchi, Hiroaki; Takaishi, Shinya; Murasugi, Hideaki; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 19 |
| Pages of publication | 6562 - 6565 |
| a | 22.2521 ± 0.0016 Å |
| b | 5.1837 ± 0.0004 Å |
| c | 7.3301 ± 0.0005 Å |
| α | 90° |
| β | 101.04 ± 0.002° |
| γ | 90° |
| Cell volume | 829.87 ± 0.1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0702 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197254 (current) | 2017-06-04 | cif/ Adding structures of 4126105, 4126106, 4126107, 4126108, 4126109, 4126110, 4126111, 4126112 via cif-deposit CGI script. |
4126106.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.