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Information card for entry 4083919
Preview
| Coordinates | 4083919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H51 F Hf2 N2 O |
|---|---|
| Calculated formula | C39 H51 F Hf2 N2 O |
| SMILES | [cH]12[c]3([cH]4[c]5([c]1(C)[Hf]16789%102345([c]2([cH]8[c]7([cH]6[c]12C)C)C)OC=[N]9[Hf]12345678([c]9([cH]1[c]2([cH]3[c]49C)C)C)([c]1([cH]8[c]7([c]6([cH]51)C)C)C)N%10)C)C.c1ccccc1F |
| Title of publication | N‒H and N‒C Bond Formation with an N2-Derived Dihafnium μ-Nitrido Complex |
| Authors of publication | Semproni, Scott P.; Chirik, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 14 |
| Pages of publication | 3727 |
| a | 10.1858 ± 0.0012 Å |
| b | 12.4686 ± 0.0014 Å |
| c | 14.8013 ± 0.0016 Å |
| α | 112.29 ± 0.003° |
| β | 93.368 ± 0.003° |
| γ | 92.903 ± 0.002° |
| Cell volume | 1730.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178728 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/39. |
4083919.cif |
| 121335 | 2014-08-05 | cif/ Updating files of 4083916, 4083917, 4083918, 4083919, 4083920, 4083921, 4083922, 4083923, 4083924 Original log message: Adding full bibliography for 4083916--4083924.cif. |
4083919.cif |
| 119599 | 2014-07-08 | cif/ Adding structures of 4083916, 4083917, 4083918, 4083919, 4083920, 4083921, 4083922, 4083923, 4083924 via cif-deposit CGI script. |
4083919.cif |
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Users of the data should acknowledge the original authors of the
structural data.