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Information card for entry 1572867
Preview
| Coordinates | 1572867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H61 N2 P Si2 |
|---|---|
| Calculated formula | C36 H61 N2 P Si2 |
| Title of publication | Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls |
| Authors of publication | Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 18.994 ± 0.002 Å |
| b | 11.672 ± 0.002 Å |
| c | 19.431 ± 0.003 Å |
| α | 90° |
| β | 118.39 ± 0.02° |
| γ | 90° |
| Cell volume | 3789.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.089 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295440 (current) | 2024-10-12 | cif/ Adding structures of 1572866, 1572867, 1572868, 1572869 via cif-deposit CGI script. |
1572867.cif |
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Users of the data should acknowledge the original authors of the
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