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Information card for entry 7042722
Preview
| Coordinates | 7042722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H38 N2 Zn |
|---|---|
| Calculated formula | C30 H38 N2 Zn |
| SMILES | [Zn]1([n]2ccccc2c2[n]1cccc2)(C1C2CC3CC1CC(C2)C3)C1C2CC3CC(CC1C3)C2 |
| Title of publication | Adamantyl Metal Complexes: New Routes to Adamantyl Anions and New Transmetallations |
| Authors of publication | Armstrong, David; Taullaj, Fioralba; Singh, Kamalpreet; Mirabi, Bijan; Lough, Alan; Fekl, Ulrich Werner |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 10.5819 ± 0.001 Å |
| b | 11.0816 ± 0.001 Å |
| c | 11.7087 ± 0.0011 Å |
| α | 87.754 ± 0.003° |
| β | 66.311 ± 0.003° |
| γ | 78.315 ± 0.003° |
| Cell volume | 1229.9 ± 0.2 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0587 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195612 (current) | 2017-04-20 | cif/ Adding structures of 7042720, 7042721, 7042722, 7042723, 7042724 via cif-deposit CGI script. |
7042722.cif |
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Users of the data should acknowledge the original authors of the
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