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Information card for entry 7229255
Preview
| Coordinates | 7229255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | o-toryl nickel(dcpe)I complex |
|---|---|
| Formula | C34 H57 Cl2 I Ni P2 |
| Calculated formula | C34 H57 Cl2 I Ni P2 |
| Title of publication | A study on an unusual SN2 mechanism in the methylation of benzyne through nickel-complexation |
| Authors of publication | Hatakeyama, Makoto; Sakamoto, Yuki; Ogata, Koji; Sumida, Yuto; Sumida, Tomoe; Hosoya, Takamitsu; Nakamura, Shinichiro |
| Journal of publication | Phys. Chem. Chem. Phys. |
| Year of publication | 2017 |
| a | 12.0708 ± 0.0009 Å |
| b | 18.5658 ± 0.0014 Å |
| c | 16.5122 ± 0.0012 Å |
| α | 90° |
| β | 101.264 ± 0.004° |
| γ | 90° |
| Cell volume | 3629.2 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0704 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201500 (current) | 2017-09-29 | cif/ Adding structures of 7229255 via cif-deposit CGI script. |
7229255.cif |
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