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Information card for entry 1570535
Preview
| Coordinates | 1570535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Manganesepentacarbonylbromidequinolinethiophene |
|---|---|
| Formula | C19 H16 Br Mn N2 O3 S |
| Calculated formula | C19 H16 Br Mn N2 O3 S |
| Title of publication | Catalytic acceptorless dehydrogenative borylation of styrenes enabled by a molecularly defined manganese complex. |
| Authors of publication | Das, Kuhali; Kundu, Abhishek; Sarkar, Koushik; Adhikari, Debashis; Maji, Biplab |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 1098 - 1105 |
| a | 13.2068 ± 0.0004 Å |
| b | 15.5782 ± 0.0005 Å |
| c | 9.4496 ± 0.0003 Å |
| α | 90° |
| β | 98.364 ± 0.003° |
| γ | 90° |
| Cell volume | 1923.47 ± 0.11 Å3 |
| Cell temperature | 106 ± 9 K |
| Ambient diffraction temperature | 106 ± 9 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1398 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289433 (current) | 2024-02-04 | cif/ Updating files of 1570534, 1570535 Original log message: Adding full bibliography for 1570534--1570535.cif. |
1570535.cif |
| 288227 | 2023-12-12 | cif/ Adding structures of 1570534, 1570535 via cif-deposit CGI script. |
1570535.cif |
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Users of the data should acknowledge the original authors of the
structural data.