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Information card for entry 1552518
Preview
| Coordinates | 1552518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H55 Mn N2 P4 Si |
|---|---|
| Calculated formula | C26.988 H54.968 Mn N2 P3.996 Si |
| SMILES | c1([n+](ccn1C(C)C)C(C)C)[SiH](c1ccccc1)[MnH]12([P](C)(C)CC[P]1(C)C)[P](C)(C)CC[P]2(C)C |
| Title of publication | Interconversion and reactivity of manganese silyl, silylene, and silene complexes |
| Authors of publication | Price, Jeffrey S.; Emslie, David J. H. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 30.089 ± 0.003 Å |
| b | 12.8432 ± 0.0011 Å |
| c | 17.3407 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6701.1 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1543 |
| Residual factor for significantly intense reflections | 0.103 |
| Weighted residual factors for significantly intense reflections | 0.2048 |
| Weighted residual factors for all reflections included in the refinement | 0.2289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220520 (current) | 2019-10-30 | cif/ Adding structures of 1552513, 1552514, 1552515, 1552516, 1552517, 1552518, 1552519, 1552520 via cif-deposit CGI script. |
1552518.cif |
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Users of the data should acknowledge the original authors of the
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