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Information card for entry 7048689
Preview
| Coordinates | 7048689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H59 Fe I Mo N2 O P2 |
|---|---|
| Calculated formula | C37 H53 Fe I Mo N2 O P2 |
| Title of publication | Effect of substituents on molybdenum triiodide complexes bearing PNP-type pincer ligands toward catalytic nitrogen fixation |
| Authors of publication | Itabashi, Takayuki; Mori, Okki; Arashiba, Kazuya; Eizawa, Aya; Nakajima, Kazunari; Nishibayashi, Yoshiaki |
| Journal of publication | Dalton Transactions |
| Year of publication | 2019 |
| a | 21.9017 ± 0.001 Å |
| b | 15.3078 ± 0.0008 Å |
| c | 13.875 ± 0.0006 Å |
| α | 90° |
| β | 120.601 ± 0.009° |
| γ | 90° |
| Cell volume | 4004 ± 0.5 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0792 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213248 (current) | 2019-01-22 | cif/ Adding structures of 7048685, 7048686, 7048687, 7048688, 7048689, 7048690, 7048691, 7048692, 7048693 via cif-deposit CGI script. |
7048689.cif |
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Users of the data should acknowledge the original authors of the
structural data.