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Information card for entry 4086148
Preview
| Coordinates | 4086148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H48 Mo N12 |
|---|---|
| Calculated formula | C28 H48 Mo N12 |
| SMILES | C1(N(C(=C(C)N1C)C)C)=[Mo]([N]#N)([N]#N)(=C1N(C(=C(C)N1C)C)C)(=C1N(C(=C(C)N1C)C)C)=C1N(C(=C(C)N1C)C)C |
| Title of publication | Synthesis and Protonation of N-Heterocyclic-Carbene-Supported Dinitrogen Complexes of Molybdenum(0) |
| Authors of publication | Ohki, Yasuhiro; Aoyagi, Keiya; Seino, Hidetake |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3414 |
| a | 12.113 ± 0.006 Å |
| b | 12.113 ± 0.006 Å |
| c | 11.029 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1618.2 ± 1.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 104 |
| Hermann-Mauguin space group symbol | P 4 n c |
| Hall space group symbol | P 4 -2n |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 152772 (current) | 2015-08-05 | cif/ Adding structures of 4086148, 4086149, 4086150, 4086151 via cif-deposit CGI script. |
4086148.cif |
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Users of the data should acknowledge the original authors of the
structural data.