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Information card for entry 4126111
Preview
| Coordinates | 4126111.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 | 22.3078 ± 0.0018 Å |
| b | 5.2074 ± 0.0004 Å |
| c | 7.367 ± 0.0006 Å |
| α | 90° |
| β | 100.931 ± 0.003° |
| γ | 90° |
| Cell volume | 840.26 ± 0.12 Å3 |
| Cell temperature | 323 ± 2 K |
| Ambient diffraction temperature | 323 ± 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0707 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| 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. |
4126111.cif |
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Users of the data should acknowledge the original authors of the
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