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Information card for entry 4301139
Preview
| Coordinates | 4301139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H28 B Cu N2 |
|---|---|
| Calculated formula | C36 H28 B Cu N2 |
| SMILES | [Cu]1234([cH]5[c]2(cccc5)[B](c2ccccc2)([c]21[cH]4cccc2)c1ccccc1)[n]1c2c4[n]3cccc4ccc2ccc1 |
| Title of publication | Strong Coordination of Tetraphenylborate Anion to Copper(I) Bipyridine and Phenanthroline-Based Complexes and Its Effect on Catalytic Activity in the Cyclopropanation of Styrene |
| Authors of publication | Carolynne Ricardo; Lauren M. Matosziuk; Jeffrey D. Evanseck; Tomislav Pintauer |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Pages of publication | 16 - 18 |
| a | 9.7342 ± 0.0007 Å |
| b | 32.7707 ± 0.0018 Å |
| c | 9.4081 ± 0.0005 Å |
| α | 90° |
| β | 117.002 ± 0.001° |
| γ | 90° |
| Cell volume | 2674 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0544 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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