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Information card for entry 4086735
Preview
| Coordinates | 4086735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H39 O Zr |
|---|---|
| Calculated formula | C27 H39 O Zr |
| Title of publication | Reaction of Cp*2Zr(2,3-dimethylbutadiene) with Isonitriles and CO |
| Authors of publication | Valadez, Travis N.; Norton, Jack R.; Neary, Michelle C.; Quinlivan, Patrick J. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 18 |
| Pages of publication | 3163 |
| a | 18.0724 ± 0.0013 Å |
| b | 9.599 ± 0.0007 Å |
| c | 29.022 ± 0.002 Å |
| α | 90° |
| β | 94.941 ± 0.001° |
| γ | 90° |
| Cell volume | 5015.9 ± 0.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0738 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.2412 |
| Weighted residual factors for all reflections included in the refinement | 0.2455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.405 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186947 (current) | 2016-10-05 | cif/ Adding structures of 4086729, 4086730, 4086731, 4086732, 4086733, 4086734, 4086735, 4086736 via cif-deposit CGI script. |
4086735.cif |
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Users of the data should acknowledge the original authors of the
structural data.