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Information card for entry 4083920
Preview
| Coordinates | 4083920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H63 F Hf2 N2 O Si |
|---|---|
| Calculated formula | C46 H63 F Hf2 N2 O Si |
| SMILES | [c]12([c]3([cH]4[c]5([cH]1[Hf]16782345([c]2([cH]1[c]6([cH]7[c]82C)C)C)(N[Hf]12345678([c]9([cH]4[c]3([c]2([cH]19)C)C)C)([c]1([c]5([cH]6[c]7([cH]81)C)C)C)C=C=C(C)[Si](C)(C)C)N=C=O)C)C)C.c1(ccccc1)F |
| 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 | 11.9235 ± 0.0011 Å |
| b | 12.8999 ± 0.0012 Å |
| c | 15.759 ± 0.0014 Å |
| α | 77.126 ± 0.002° |
| β | 72.457 ± 0.002° |
| γ | 73.501 ± 0.002° |
| Cell volume | 2190.9 ± 0.3 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 | 0.0308 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0615 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| 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. |
4083920.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. |
4083920.cif |
| 119599 | 2014-07-08 | cif/ Adding structures of 4083916, 4083917, 4083918, 4083919, 4083920, 4083921, 4083922, 4083923, 4083924 via cif-deposit CGI script. |
4083920.cif |
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Users of the data should acknowledge the original authors of the
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