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Information card for entry 1565776
Preview
| Coordinates | 1565776.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H46 B N9 O2 P2 Ru |
|---|---|
| Calculated formula | C35 H46 B N9 O2 P2 Ru |
| Title of publication | Insertion reactions of heteroallenes (CS2 and CO2) into the Ru-H bond of Cp′Ru(PTA)(PR3)H complexes (PTA = 1,3,5-triaza-7-phosphaadamantane) |
| Authors of publication | Lanorio, Jocelyn P.; Frost, Brian J. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2019 |
| Journal volume | 498 |
| Pages of publication | 119138 |
| a | 15.4366 ± 0.0004 Å |
| b | 14.5548 ± 0.0004 Å |
| c | 16.4821 ± 0.0004 Å |
| α | 90° |
| β | 106.67° |
| γ | 90° |
| Cell volume | 3547.51 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271443 (current) | 2021-12-15 | cif/ Adding structures of 1565775, 1565776, 1565777 via cif-deposit CGI script. |
1565776.cif |
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Users of the data should acknowledge the original authors of the
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