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Information card for entry 7036003
Preview
| Coordinates | 7036003.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H132 Mo4 N24 Ni O0 P4 |
|---|---|
| Calculated formula | C140.5 Mo4 N16 Ni O6.5 P4 |
| SMILES | [Ni]([P]12CN([Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)3#N)c1cc(cc(c1)C)C)([P]12CN([Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)3#N)c1cc(cc(c1)C)C)([P]12CN(c3cc(cc(c3)C)C)[Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)#N)[P]12CN([Mo](N(C1)c1cc(cc(c1)C)C)(N(C2)c1cc(cc(c1)C)C)#N)c1cc(cc(c1)C)C.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 | 54.295 ± 0.009 Å |
| b | 16.506 ± 0.003 Å |
| c | 32.198 ± 0.005 Å |
| α | 90° |
| β | 93.411 ± 0.002° |
| γ | 90° |
| Cell volume | 28805 ± 8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2401 |
| Residual factor for significantly intense reflections | 0.2299 |
| Weighted residual factors for significantly intense reflections | 0.493 |
| Weighted residual factors for all reflections included in the refinement | 0.5048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 161797 (current) | 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. |
7036003.cif |
| 152651 | 2015-07-31 | cif/ Adding structures of 7035997, 7035998, 7035999, 7036000, 7036001, 7036002, 7036003, 7036004 via cif-deposit CGI script. |
7036003.cif |
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Users of the data should acknowledge the original authors of the
structural data.