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Information card for entry 4134547
Preview
| Coordinates | 4134547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67.25 H80 N6 Na Ni2 O3.75 |
|---|---|
| Calculated formula | C67.25 H80 N6 Na Ni2 O3.75 |
| Title of publication | Competing H2 versus Intramolecular C-H Activation at a Dinuclear Nickel Complex via Metal-Metal Cooperative Oxidative Addition. |
| Authors of publication | Stevens, Hendrik; Duan, Peng-Cheng; Dechert, Sebastian; Meyer, Franc |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 12.7288 ± 0.0007 Å |
| b | 15.5 ± 0.0007 Å |
| c | 17.7274 ± 0.0009 Å |
| α | 112.663 ± 0.004° |
| β | 92.988 ± 0.004° |
| γ | 99.314 ± 0.004° |
| Cell volume | 3159.7 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 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 | 0.0903 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249739 (current) | 2020-03-27 | cif/ Adding structures of 4134543, 4134544, 4134545, 4134546, 4134547, 4134548, 4134549 via cif-deposit CGI script. |
4134547.cif |
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Users of the data should acknowledge the original authors of the
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