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Information card for entry 7036004
Preview
| Coordinates | 7036004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H132 Mo4 N16 Ni O6 P4 |
|---|---|
| Calculated formula | C108 H132 Mo4 N16 Ni O6 P4 |
| SMILES | N1(C[P]2([Ni]([P]34CN(c5ccccc5)[Mo](N(C4)c4ccccc4)(N(C3)c3ccccc3)#N)([P]34CN(c5ccccc5)[Mo](N(C4)c4ccccc4)(N(C3)c3ccccc3)#N)[P]34CN(c5ccccc5)[Mo](N(C4)c4ccccc4)(N(C3)c3ccccc3)#N)CN(c3ccccc3)[Mo]1(N(C2)c1ccccc1)#N)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Diamagnetic molybdenum nitride complexes supported by diligating tripodal triamido-phosphine ligands as precursors to paramagnetic phosphine donors. |
| Authors of publication | Hatnean, Jillian A.; Johnson, Samuel A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 33 |
| Pages of publication | 14925 - 14936 |
| a | 24.8542 ± 0.0012 Å |
| b | 24.8542 ± 0.0012 Å |
| c | 29.932 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 16012.8 ± 1.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
7036004.cif |
| 161797 | 2015-10-09 | cif/ Updating files of 7035997, 7035998, 7035999, 7036000, 7036001, 7036002, 7036003, 7036004 Original log message: Adding full bibliography for 7035997--7036004.cif. |
7036004.cif |
| 152651 | 2015-07-31 | cif/ Adding structures of 7035997, 7035998, 7035999, 7036000, 7036001, 7036002, 7036003, 7036004 via cif-deposit CGI script. |
7036004.cif |
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Users of the data should acknowledge the original authors of the
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