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Information card for entry 1550533
Preview
| Coordinates | 1550533.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1a |
|---|---|
| Chemical name | 1a |
| Formula | C36 H72 Mn4 O16 |
| Calculated formula | C36 H68.8 Mn4 O16 |
| 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 | 12.1248 ± 0.0013 Å |
| b | 14.1447 ± 0.0015 Å |
| c | 14.1468 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2426.2 ± 0.4 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 4 |
| Space group number | 23 |
| Hermann-Mauguin space group symbol | I 2 2 2 |
| Hall space group symbol | I 2 2 |
| Residual factor for all reflections | 0.0255 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| 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. |
1550533.cif |
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Users of the data should acknowledge the original authors of the
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