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Information card for entry 4126169
Preview
| Coordinates | 4126169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H94 Fe4 N2 O P2 Si6 |
|---|---|
| Calculated formula | C55 H94 Fe4 N2 O P2 Si6 |
| Title of publication | [Fe4] and [Fe6] Hydride Clusters Supported by Phosphines: Synthesis, Characterization, and Application in N2 Reduction. |
| Authors of publication | Araake, Ryoichi; Sakadani, Kazuki; Tada, Mizuki; Sakai, Yoichi; Ohki, Yasuhiro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 15 |
| Pages of publication | 5596 - 5606 |
| a | 17.01 Å |
| b | 14.8254 Å |
| c | 27.41 Å |
| α | 90° |
| β | 104.343° |
| γ | 90° |
| Cell volume | 6696.8 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0544 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197296 (current) | 2017-06-04 | cif/ Adding structures of 4126163, 4126164, 4126165, 4126166, 4126167, 4126168, 4126169, 4126170 via cif-deposit CGI script. |
4126169.cif |
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