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Information card for entry 4086842
Preview
| Coordinates | 4086842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H27 N O2 W |
|---|---|
| Calculated formula | C17 H27 N O2 W |
| Title of publication | Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2) |
| Authors of publication | Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| a | 16.0573 ± 0.0019 Å |
| b | 14.9969 ± 0.0017 Å |
| c | 15.4854 ± 0.0018 Å |
| α | 90° |
| β | 114.412 ± 0.002° |
| γ | 90° |
| Cell volume | 3395.6 ± 0.7 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189670 (current) | 2017-01-01 | cif/ Adding structures of 4086840, 4086841, 4086842, 4086843, 4086844 via cif-deposit CGI script. |
4086842.cif |
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Users of the data should acknowledge the original authors of the
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