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Information card for entry 1564195
Preview
| Coordinates | 1564195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 Br Mn N2 O3 |
|---|---|
| Calculated formula | C15 H12 Br Mn N2 O3 |
| SMILES | Br[Mn]1(C#[O])(C#[O])(C#[O])[n]2c(C)cccc2c2cccc(C)[n]12 |
| Title of publication | Impact of steric bulk on photoinduced ligand exchange reactions in Mn(I) photoCORMs |
| Authors of publication | Pordel, Shabnam; Schrage, Briana R.; Ziegler, Christopher J.; White, Jessica K. |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 511 |
| Pages of publication | 119845 |
| a | 7.8133 ± 0.0008 Å |
| b | 17.149 ± 0.0015 Å |
| c | 17.9215 ± 0.0018 Å |
| α | 73.446 ± 0.004° |
| β | 89.536 ± 0.004° |
| γ | 79.143 ± 0.004° |
| Cell volume | 2257.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0614 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267601 (current) | 2021-07-16 | cif/ Adding structures of 1564195 via cif-deposit CGI script. |
1564195.cif |
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Users of the data should acknowledge the original authors of the
structural data.