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Information card for entry 1551851
Preview
| Coordinates | 1551851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H118 N2 P4 Ti2 |
|---|---|
| Calculated formula | C69 H118 N2 P4 Ti2 |
| Title of publication | A new and selective cycle for dehydrogenation of linear and cyclic alkanes under mild conditions using a base metal |
| Authors of publication | Douglas P. Solowey; Manoj V. Mane,; Takashi Kurogi; Patrick J. Carroll; Brian C. Manor; Mu-Hyun Baik; Daniel J. Mindiola |
| Journal of publication | Nature Chemistry |
| Year of publication | 2017 |
| Journal volume | 9 |
| Pages of publication | 1126 - 1132 |
| a | 10.838 ± 0.0008 Å |
| b | 11.7188 ± 0.0009 Å |
| c | 15.3855 ± 0.0011 Å |
| α | 111.957 ± 0.004° |
| β | 95.397 ± 0.004° |
| γ | 103.468 ± 0.004° |
| Cell volume | 1726.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216472 (current) | 2019-06-21 | cif/ Adding structures of 1551851 via cif-deposit CGI script. |
1551851.cif |
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