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Information card for entry 4088557
Preview
| Coordinates | 4088557.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H68 B Cl2 F4 Fe N P2 |
|---|---|
| Calculated formula | C39 H68 B Cl2 F4 Fe N P2 |
| Title of publication | Hydride Transfer from Iron(II) Hydride Compounds to NAD(P)+ Analogues |
| Authors of publication | Zhang, Fanjun; Jia, Jiong; Dong, Shuli; Wang, Wenguang; Tung, Chen-Ho |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 8 |
| Pages of publication | 1151 |
| a | 11.5166 ± 0.0012 Å |
| b | 12.5602 ± 0.0013 Å |
| c | 28.911 ± 0.003 Å |
| α | 90° |
| β | 97.456 ± 0.006° |
| γ | 90° |
| Cell volume | 4146.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 8 |
| 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 | 0.0737 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1198 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237665 (current) | 2019-11-24 | cif/ Adding structures of 4088554, 4088555, 4088556, 4088557, 4088558, 4088559, 4088560, 4088561, 4088562, 4088563, 4088564, 4088565 via cif-deposit CGI script. |
4088557.cif |
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Users of the data should acknowledge the original authors of the
structural data.