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Information card for entry 4343186
Preview
| Coordinates | 4343186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | trans-Mo(N2)2(PMePh2)2(P_Et2-PN2, N_ArF) |
|---|---|
| Formula | C50 H60 F4 Mo N6 O P4 |
| Calculated formula | C50 H60 F4 Mo N6 O P4 |
| SMILES | C(Nc1c(cc(cc1)F)F)[P]1(CNc2c(cc(cc2)F)F)CC[P](CC)(CC)[Mo]1([N]#N)([N]#N)([P](C)(c1ccccc1)c1ccccc1)[P](C)(c1ccccc1)c1ccccc1.C1CCCO1 |
| Title of publication | Electronic and Steric Influences of Pendant Amine Groups on the Protonation of Molybdenum Bis(dinitrogen) Complexes. |
| Authors of publication | Labios, Liezel A.; Heiden, Zachariah M.; Mock, Michael T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 9 |
| Pages of publication | 4409 - 4422 |
| a | 12.9035 ± 0.0006 Å |
| b | 13.5913 ± 0.0006 Å |
| c | 14.4595 ± 0.0006 Å |
| α | 87.571 ± 0.002° |
| β | 81.87 ± 0.002° |
| γ | 78.662 ± 0.002° |
| Cell volume | 2461.09 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 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. |
4343186.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343186.cif |
| 137934 | 2015-06-04 | cif/ Adding structures of 4343185, 4343186, 4343187, 4343188, 4343189 via cif-deposit CGI script. |
4343186.cif |
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Users of the data should acknowledge the original authors of the
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