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Information card for entry 4345146
Preview
| Coordinates | 4345146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H61 Mo2 N7 O9.5 |
|---|---|
| Calculated formula | C57 H61 Mo2 N7 O9.5 |
| SMILES | [Mo]1234[Mo]([O]=C(O1)c1cccnc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]3c1ccc(OC)cc1)c1ccc(OC)cc1)N(C=[N]4c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCCC1.O1CCCC1 |
| Title of publication | Mixed Ligated Tris(amidinate)dimolybdenum Complexes as Catalysts for Radical Addition of CCl4 to 1-Hexene: Leaving Ligand Lability Controls Catalyst Activity. |
| Authors of publication | Rej, Supriya; Majumdar, Moumita; Kando, Shun; Sugino, Yoshitaka; Tsurugi, Hayato; Mashima, Kazushi |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 634 - 644 |
| a | 13.514 ± 0.005 Å |
| b | 19.201 ± 0.005 Å |
| c | 23.132 ± 0.005 Å |
| α | 66.515 ± 0.005° |
| β | 81.976 ± 0.005° |
| γ | 71.66 ± 0.005° |
| Cell volume | 5225 ± 3 Å3 |
| Cell temperature | 113 K |
| Ambient diffraction temperature | 113 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1314 |
| Weighted residual factors for all reflections included in the refinement | 0.1621 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4345146.cif |
| 251896 | 2020-05-08 | cif/4 Fixing Z values and formulae |
4345146.cif |
| 191272 | 2017-02-04 | cif/ Adding structures of 4345145, 4345146, 4345147, 4345148, 4345149 via cif-deposit CGI script. |
4345146.cif |
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Users of the data should acknowledge the original authors of the
structural data.