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Information card for entry 1550534
Preview
| Coordinates | 1550534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6a |
|---|---|
| Chemical name | 6a |
| Formula | C52 H54 Mn2 N4 O6 |
| Calculated formula | C52 H54 Mn2 N4 O6 |
| Title of publication | Dinuclear Manganese Alkoxide Complexes as Catalysts for C—N Bond Cleavage of Simple Tertiary N,N-Dialkylamides to Give Esters |
| Authors of publication | Nagae, Haruki; Hirai, Takahiro; Kato, Daiki; Soma, Shusei; Akebi, Shin-ya; Mashima, Kazushi |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.4733 ± 0.001 Å |
| b | 20.948 ± 0.002 Å |
| c | 10.6581 ± 0.0011 Å |
| α | 90° |
| β | 94.542 ± 0.002° |
| γ | 90° |
| Cell volume | 2331 ± 0.4 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 5 |
| 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213371 (current) | 2019-01-30 | cif/ Adding structures of 1550533, 1550534 via cif-deposit CGI script. |
1550534.cif |
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Users of the data should acknowledge the original authors of the
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